Benzenesulfonothioic acid, 4-amino-, S-(2-chloroethyl) ester
Basic information
- CAS
13700-07-7- Standard SMILES
Nc1ccc(S(=O)(=O)SCCCl)cc1- InChIKey
QHUKJOJNYHUJOT-UHFFFAOYSA-N- Molecular formula
- C8H10ClNO2S2
- Average molar mass
- 251.8 g/mol
- Monoisotopic mass
- 250.9841486
Names & identifiers
- Preferred name
- Benzenesulfonothioic acid, 4-amino-, S-(2-chloroethyl) ester
- IUPAC
- 4-(2-chloroethylsulfanylsulfonyl)aniline
Names & synonyms
Benzenesulfonothioic acid, 4-amino-, S-(2-chloroethyl) esterDTXSID601184980AKOS00270005513700-07-7S-(2-Chloroethyl) 4-aminobenzene-1-sulfonothioate
Database identifiers
- CAS
13700-07-7- PubChem CID
- 4491704
- DTXSID
DTXSID601184980
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 93.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 255
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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