Basic information
- CAS
60116-06-5- Standard SMILES
CC(C)(CN)SCc1ccccc1- InChIKey
IISAYOQSSFFIFU-UHFFFAOYSA-N- Molecular formula
- C11H17NS
- Average molar mass
- 195.33 g/mol
- Monoisotopic mass
- 195.10817072
Names & identifiers
- Preferred name
- 2-Methyl-2-(benzylthio)propylamine
- IUPAC
- 2-benzylsulfanyl-2-methylpropan-1-amine
Names & synonyms
2-Methyl-2-(benzylthio)propylamine59681-09-32-benzylsulfanyl-2-methylpropan-1-amine2-(benzylthio)-2-methylpropan-1-amine60116-06-5CHEMBL2272982-benzylthio 2-methyl propylamineNSC-154983NSC1549832-(Benzylthio)-2-methylpropan-1-amine hydrochloride2-Benzylmercapto-2-methylpropylamine; 2-Benzylthio-2-methylpropylamine; 2-Methyl-2-[(phenylmethyl)thio]-1-propanamine2-(benzylthio)-2-methyl-1-propanamine
Show more names
starbld0024561NCIStruc1_000860NCIStruc2_0009342-(BENZYLSULFANYL)-2-METHYLPROPAN-1-AMINESCHEMBL1654642SCHEMBL111889832-Benzylthio-2-methylpropylamineDTXSID00329763
Database identifiers
- CAS
60116-06-5- PubChem CID
- 423583
- DTXSID
DTXSID00329763- ChEMBL
CHEMBL227298- Nikkaji
- J1.275.664J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 51.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 139
Related reactions
3 records
Compound notes
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