Basic information
- CAS
63918-09-2- Standard SMILES
CCN(CC)CCSc1ccccc1C- InChIKey
NUBSVZKBUCRIBZ-UHFFFAOYSA-N- Molecular formula
- C13H21NS
- Average molar mass
- 223.38 g/mol
- Monoisotopic mass
- 223.13947085
Names & identifiers
- Preferred name
- Ethylamine, N,N-diethyl-2-(o-tolylthio)-
- IUPAC
- N,N-diethyl-2-(2-methylphenyl)sulfanylethanamine
- English name
- N,N-Diethyl-2-(o-tolylthio)ethanamine
- Molecular formula
- C13H21NS
- Molecular weight
- 223.38
Names & synonyms
USAF A-1263263918-09-2BRN 3256309ETHYLAMINE, N,N-DIETHYL-2-(o-TOLYLTHIO)-N,N-Diethyl-beta-(o-tolylthio) ethylamineDTXSID802136913-06-00-01282 (Beilstein Handbook Reference)RefChem:345166DTXCID10136182N,N-diethyl-2-(o-tolylthio)ethanamineDB-320593N,N-Diethyl-2-[(2-methylphenyl)sulfanyl]ethan-1-amine
Show more names
Ethanamine, N,N-diethyl-2-[(2-methylphenyl)thio]-
Database identifiers
- CAS
63918-09-2- PubChem CID
- 45368
- DTXSID
DTXSID80213691- Nikkaji
- J93.013J
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 28.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 157
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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