Benzo(b)thiophene, 3-(2-aminoethylamino)-2-chloro-, 1,1,-dioxide
Basic information
- CAS
39775-21-8- Standard SMILES
NCCNC1=C(Cl)S(=O)(=O)c2ccccc21- InChIKey
OSUYVHRYRXDZMO-UHFFFAOYSA-N- Molecular formula
- C10H11ClN2O2S
- Average molar mass
- 258.73 g/mol
- Monoisotopic mass
- 258.0229765
Names & identifiers
- Preferred name
- Benzo(b)thiophene, 3-(2-aminoethylamino)-2-chloro-, 1,1,-dioxide
- IUPAC
- N'-(2-chloro-1,1-dioxo-1-benzothiophen-3-yl)ethane-1,2-diamine
Names & synonyms
BRN 138105139775-21-8BENZO(b)THIOPHENE, 3-(2-AMINOETHYLAMINO)-2-CHLORO-, 1,1,-DIOXIDE3-(2-Aminoethylamino)-2-chlorobenzo(b)thiophine 1,1-dioxideDTXSID10192849RefChem:326194DTXCID001153403-[(2-Aminoethyl)amino]-2-chloro-1H-1lambda~6~-benzothiophene-1,1-dione
Database identifiers
- CAS
39775-21-8- PubChem CID
- 38338
- DTXSID
DTXSID10192849
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 400
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Compound notes
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