F0898-0216
Basic information
- CAS
10520-99-7- Standard SMILES
Cc1ccc(S(=O)(=O)NC(=S)c2ccccc2)cc1- InChIKey
QAZYGNFCKPEXCR-UHFFFAOYSA-N- Molecular formula
- C14H13NO2S2
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 291.038771
Overview
N-(4-methylphenyl)sulonylbenzenecarbothioamide is a sulfonamide.
Names & identifiers
- Preferred name
- F0898-0216
- IUPAC
- N-(4-methylphenyl)sulfonylbenzenecarbothioamide
Names & synonyms
10520-99-7DTXSID50350380F0898-0216RefChem:345361DTXCID60301449N-(4-methylphenyl)sulfonylbenzenecarbothioamideBenzenecarbothioamide,N-[(4-methylphenyl)sulfonyl]-N-[(4-METHYLPHENYL)SULFONYL]BENZENECARBOTHIOAMIDE(Z)-N-tosylbenzimidothioic acidNSC251024Oprea1_045418MLS000999955
Show more names
CHEMBL1890631CHEBI:180582HMS2757J10AKOS000620841AKOS024601666NSC-251024SMR000274990DS-010124
Database identifiers
- CAS
10520-99-7- PubChem CID
- 677607
- DTXSID
DTXSID50350380- ChEMBL
CHEMBL1890631- ChEBI
CHEBI:180582
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 86.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 400
Experimental & physicochemical properties
Solubility>43.7 [ug/mL] (The mean of the results at pH 7.4)
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Related reactions
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Compound notes
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