Basic information
- CAS
62268-38-6- Standard SMILES
O=S1(=O)C(Cl)=C(N2CC2)c2ccccc21- InChIKey
RJJAQIDLFUFLST-UHFFFAOYSA-N- Molecular formula
- C10H8ClNO2S
- Average molar mass
- 241.69 g/mol
- Monoisotopic mass
- 240.9964274
Names & identifiers
- Preferred name
- Benzo(b)thiophene, 3-(1-aziridinyl)-2-chloro-, 1,1-dioxide
- IUPAC
- 3-(aziridin-1-yl)-2-chloro-1-benzothiophene 1,1-dioxide
Names & synonyms
BENZO(b)THIOPHENE, 3-(1-AZIRIDINYL)-2-CHLORO-, 1,1-DIOXIDE2-Chloro-3-(1-aziridinyl)benzo(b)thiophene 1,1-dioxide62268-38-6DTXSID20211333RefChem:326192DTXCID201338243-(Aziridin-1-yl)-2-chloro-1H-1lambda~6~-benzothiophene-1,1-dione
Database identifiers
- CAS
62268-38-6- PubChem CID
- 43975
- DTXSID
DTXSID20211333
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 45.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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