NAV

Sulfathiourea

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Sulfathiourea
DrugBank Accession Number
DB13699
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 231.29
Monoisotopic: 231.01361889
Chemical Formula
C7H9N3O2S2
Synonyms
  • 1-sulfanilyl-2-thiourea
  • 4-amino-N-(aminothioxomethyl)benzenesulfonamide
  • p-aminobenzenesulfonylthiourea
  • p-aminophenylsulfonylthiourea
  • Sulfathiocarbamide
  • Sulfathiourea
  • Sulfathiourée
  • Sulfatiourea
  • Sulphathiourea
External IDs
  • R.P. 2255
  • RP 2255
  • RP-2255
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Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
DrugInteraction
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interactions in your software
AcarboseThe therapeutic efficacy of Acarbose can be increased when used in combination with Sulfathiourea.
AcetohexamideThe therapeutic efficacy of Acetohexamide can be increased when used in combination with Sulfathiourea.
AlbiglutideThe therapeutic efficacy of Albiglutide can be increased when used in combination with Sulfathiourea.
AlogliptinThe therapeutic efficacy of Alogliptin can be increased when used in combination with Sulfathiourea.
BenzylpenicillinSulfathiourea may decrease the excretion rate of Benzylpenicillin which could result in a higher serum level.
Food Interactions
Not Available

Products

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International/Other Brands
Badional / Fontamide

Categories

ATC Codes
J01EB08 — Sulfathiourea
Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as aminobenzenesulfonamides. These are organic compounds containing a benzenesulfonamide moiety with an amine group attached to the benzene ring.
Kingdom
Organic compounds
Super Class
Benzenoids
Class
Benzene and substituted derivatives
Sub Class
Benzenesulfonamides
Direct Parent
Aminobenzenesulfonamides
Alternative Parents
Benzenesulfonyl compounds / Aniline and substituted anilines / Organosulfonic acids and derivatives / Aminosulfonyl compounds / Primary amines / Organopnictogen compounds / Organic oxides / Hydrocarbon derivatives
Substituents
Amine / Aminobenzenesulfonamide / Aminosulfonyl compound / Aniline or substituted anilines / Aromatic homomonocyclic compound / Benzenesulfonyl group / Hydrocarbon derivative / Organic nitrogen compound / Organic oxide / Organic oxygen compound
Molecular Framework
Aromatic homomonocyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
MXF9G4I1V5
CAS number
515-49-1
InChI Key
UEMLYRZWLVXWRU-UHFFFAOYSA-N
InChI
InChI=1S/C7H9N3O2S2/c8-5-1-3-6(4-2-5)14(11,12)10-7(9)13/h1-4H,8H2,(H3,9,10,13)
IUPAC Name
(4-aminobenzenesulfonyl)thiourea
SMILES
NC(=S)NS(=O)(=O)C1=CC=C(N)C=C1

References

General References
Not Available
KEGG Drug
D07239
ChemSpider
2272143
ChEBI
131723
ChEMBL
CHEMBL2107489
ZINC
ZINC000003873929
Wikipedia
Sulfathiourea

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.344 mg/mLALOGPS
logP0.2ALOGPS
logP0.3Chemaxon
logS-2.8ALOGPS
pKa (Strongest Acidic)6.13Chemaxon
pKa (Strongest Basic)2.25Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count3Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area98.21 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity59.15 m3·mol-1Chemaxon
Polarizability21.75 Å3Chemaxon
Number of Rings1Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4i-0900000000-b0627634b9551aeeaf59
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0002-0900000000-03ee00922cf89336c556
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4l-5900000000-4198eb5f7d5ae1d228e7
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-00di-0900000000-51b6115c658c4cf6db05
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014l-9000000000-afa6c7e944fef397b7eb
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-054o-9210000000-a958da0de8d8d79ff9d2
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-154.9317577
predicted
DarkChem Lite v0.1.0
[M-H]-148.21706
predicted
DeepCCS 1.0 (2019)
[M+H]+156.1382577
predicted
DarkChem Lite v0.1.0
[M+H]+150.61263
predicted
DeepCCS 1.0 (2019)
[M+Na]+155.5075577
predicted
DarkChem Lite v0.1.0
[M+Na]+156.6124
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:46 / Updated at February 21, 2021 18:54