N,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine
Basic information
- CAS
6006-18-4- Standard SMILES
CCN(CC)CCSc1ccccc1- InChIKey
MMCAURPNURWIAY-UHFFFAOYSA-N- Molecular formula
- C12H19NS
- Average molar mass
- 209.35 g/mol
- Monoisotopic mass
- 209.12382078
Names & identifiers
- Preferred name
- N,N-Diethyl-2-(phenylsulfanyl)ethan-1-amine
- IUPAC
- N,N-diethyl-2-phenylsulfanylethanamine
Names & synonyms
6006-18-4NSC358967N,N-Diethyl-2-(phenylsulfanyl)ethan-1-amineSCHEMBL3838326SCHEMBL7061665DTXSID10320403AKOS017492916NSC-358967
Database identifiers
- CAS
6006-18-4- PubChem CID
- 338092
- DTXSID
DTXSID10320403
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 128
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Compound notes
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