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Chemical substance record

Sulfathiourea

515-49-1C7H9N3O2S2231.302 g/mol
Organic/Inorganic Small MoleculeChEBI source record

A substituted aniline that is thiourea in which one of the hydrogens has been replaced by a (p-aminophenyl)sulfonyl group. — ChEBI

Safety references

Safety documents & references

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Identity & molecular properties

Source-linked values
CAS number515-49-1ChEBI ↗
Molecular formulaC7H9N3O2S2ChEBI ↗
Molar mass231.302 g/molChEBI ↗
Monoisotopic mass231.01362 DaChEBI ↗
Formal charge0ChEBI ↗
ChEBI identifierCHEBI:131723ChEBI ↗

Cross-source molecular data

PubChem
Molar mass231.3 g/molPubChem ↗
Exact mass231.01361889 DaPubChem ↗
Computed XLogP-0.7PubChem ↗
Topological polar surface area (Ų)139PubChem ↗
H-bond donors3PubChem ↗
H-bond acceptors4PubChem ↗
Rotatable bonds2PubChem ↗

PubChem computed values are shown separately from the ChEBI record. An exact InChIKey match was used to connect the records. Molecular descriptors do not describe a supplied product’s purity, particle size or performance.

Names & structural identifiers

Copy any identifier
sulfathiourea
4-amino-N-carbamothioylbenzenesulfonamide
UEMLYRZWLVXWRU-UHFFFAOYSA-N
NC(=S)NS(=O)(=O)c1ccc(N)cc1
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)

Names & synonyms

4-amino-N-carbamothioylbenzenesulfonamideBadionalFontamidesulfathioureesulfatiourea

Names are supplied by ChEBI. Trade names and related synonyms may describe a broader product context.

Classification & relationships

ChEBI ontology
substituted anilineChEBI parent class · 48975 ↗thioureasChEBI parent class · 51276 ↗sulfonamide antibioticChEBI parent class · 87228 ↗
organosulfur compoundorganic molecular entity

Roles recorded in ChEBI

antibacterial agentantibacterial drugEC 2.5.1.15 (dihydropteroate synthase) inhibitor

Database role annotations describe reported biological or chemical roles; they are not product approvals or recommendations for use.

Mass ↔ amount of substance

Calculated from sourced mass
Equivalent amount
0.00432335 mol

Uses 231.302 g/mol from ChEBI. Assumes the substance described by this record; no purity or concentration correction is applied.

Elemental composition

Theoretical mass fractions
C
Carbon · 7 atoms
36.35%
S
Sulfur · 2 atoms
27.73%
N
Nitrogen · 3 atoms
18.17%
O
Oxygen · 2 atoms
13.83%
H
Hydrogen · 9 atoms
3.92%

Calculated theoretical mass fractions from the reported formula and PubChem periodic-table atomic masses. These are not assay or purity results.

Research & patent references

Selected source associations
[Sulfathiourea, chemistry, pharmacology and clinical aspects]. ↗Zeitschrift fur Haut- und Geschlechtskrankheiten · 1953 Nov 15 · PMID 13137202
Possible association between different congenital abnormalities and use of different sulfonamides during pregnancy. ↗Congenital anomalies · 2004 Jun · PMID 15198720
US2332906 · Patent reference ↗Patent cross-reference supplied by ChEBI. Association alone does not establish claim scope.
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Sources & record history

Checked 27 Sep 2026
EMBL-EBI ChEBI · CHEBI:131723

Release 255, 9 September 2026. ChEBI three-star (manually annotated) source entry. View original record ↗ · CC BY 4.0

NCBI PubChem · CID 3000579 · retrieved 2026-09-27

PubCAS formats source data, connects references and computes explicitly labelled conversions. CAS cross-references are supplied by ChEBI; they do not constitute CAS verification or endorsement.

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