n-Benzyl-1-[(4-chlorophenyl)sulfanyl]-n-{[(4-chlorophenyl)sulfanyl]methyl}methanamine
Basic information
- CAS
67857-75-4- Standard SMILES
Clc1ccc(SCN(CSc2ccc(Cl)cc2)Cc2ccccc2)cc1- InChIKey
SPSAUKAJDRGLHB-UHFFFAOYSA-N- Molecular formula
- C21H19Cl2NS2
- Average molar mass
- 420.4 g/mol
- Monoisotopic mass
- 419.0335973
Names & identifiers
- Preferred name
- n-Benzyl-1-[(4-chlorophenyl)sulfanyl]-n-{[(4-chlorophenyl)sulfanyl]methyl}methanamine
- IUPAC
- N,N-bis[(4-chlorophenyl)sulfanylmethyl]-1-phenylmethanamine
Names & synonyms
67857-75-4n-benzyl-1-[(4-chlorophenyl)sulfanyl]-n-{[(4-chlorophenyl)sulfanyl]methyl}methanamineNSC109245DTXSID40296420NSC-109245N-BENZYL-1-(4-CHLOROPHENYL)SULFANYL-N-[(4-CHLOROPHENYL)SULFANYLMETHYL]METHANAMINEDS-011997
Database identifiers
- CAS
67857-75-4- PubChem CID
- 268804
- DTXSID
DTXSID40296420
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 350
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Related reactions
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Compound notes
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