Basic information
- Standard SMILES
NC(=S)c1ccc(S(N)(=O)=O)cc1- InChIKey
HELROTSKXOWDJY-UHFFFAOYSA-N- Molecular formula
- C7H8N2O2S2
- Average molar mass
- 216.3 g/mol
- Monoisotopic mass
- 216.0027195
Names & identifiers
- Preferred name
- 4-Sulfamoylthiobenzamide
- IUPAC
- 4-sulfamoylbenzenecarbothioamide
Names & synonyms
56236-74-94-sulfamoylthiobenzamideDTXSID20388251RefChem:296332DTXCID703392734-sulfamoylbenzene-1-carbothioamide4-sulfamoylbenzenecarbothioamideNSC221586SCHEMBL3824136HELROTSKXOWDJY-UHFFFAOYSA-NGCA236744-(aminosulfonyl)benzenecarbothioamide
Show more names
AKOS000170886NSC-221586NCGC00336353-01Benzenecarbothioamide, 4-(aminosulfonyl)-CS-0253326EN300-63973G26110AB01330335-02
Database identifiers
- CAS
56236-74-9- PubChem CID
- 3003266
- DTXSID
DTXSID20388251- EC Number
- 164-206-3
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 286
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
3 records
Linked notes
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