N,p-Bis(phenylthiomethyl)-N-methylaniline
Basic information
- CAS
73637-05-5- Standard SMILES
CN(CSc1ccccc1)c1ccc(CSc2ccccc2)cc1- InChIKey
OKBYZFBFFVTBJZ-UHFFFAOYSA-N- Molecular formula
- C21H21NS2
- Average molar mass
- 351.5 g/mol
- Monoisotopic mass
- 351.11154202
Names & identifiers
- Preferred name
- N,p-Bis(phenylthiomethyl)-N-methylaniline
- IUPAC
- N-methyl-N,4-bis(phenylsulfanylmethyl)aniline
Names & synonyms
N,p-Bis(phenylthiomethyl)-N-methylaniline73637-05-5BEX359G3BXNSC-89502Benzenamine, N-methyl-N,4-bis((phenylthio)methyl)-RefChem:1090607ANILINE, N,p-BIS(PHENYLTHIOMETHYL)-N-METHYL-NSC 89502NSC89502p-Toluidine, N-methyl-N-(phenylthiomethyl)-alpha-phenylthio-UNII-BEX359G3BXWLN: RS1R DN1&1SR
Show more names
DTXSID40223852Benzenamine,4-bis[(phenylthio)methyl]-Aniline,p-bis(phenylthiomethyl)-N-methyl-N-methyl-N,4-bis[(phenylsulfanyl)methyl]anilinep-Toluidine, N-methyl-N-(phenylthiomethyl)-.alpha.-phenylthio-
Database identifiers
- CAS
73637-05-5- PubChem CID
- 51952
- DTXSID
DTXSID40223852- UNII
- BEX359G3BX
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 53.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 329
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Related reactions
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Compound notes
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