1,1'-Sulfonylbis(2-chloro-4-isothiocyanatobenzene)
Basic information
- CAS
40939-72-8- Standard SMILES
O=S(=O)(c1ccc(N=C=S)cc1Cl)c1ccc(N=C=S)cc1Cl- InChIKey
SRKJFHPJAXNVJD-UHFFFAOYSA-N- Molecular formula
- C14H6Cl2N2O2S3
- Average molar mass
- 401.3 g/mol
- Monoisotopic mass
- 399.8968463
Names & identifiers
- Preferred name
- 1,1'-Sulfonylbis(2-chloro-4-isothiocyanatobenzene)
- IUPAC
- 2-chloro-1-(2-chloro-4-isothiocyanatophenyl)sulfonyl-4-isothiocyanatobenzene
Names & synonyms
40939-72-81,1'-sulfonylbis(2-chloro-4-isothiocyanatobenzene)NSC144041DTXSID10961310NSC-144041
Database identifiers
- CAS
40939-72-8- PubChem CID
- 286188
- DTXSID
DTXSID10961310
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 576
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Compound notes
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