Basic information
- CAS
84996-58-7- Standard SMILES
CN(C)CCSc1nc2ccccc2s1- InChIKey
KMWKXYYYWRNCEV-UHFFFAOYSA-N- Molecular formula
- C11H14N2S2
- Average molar mass
- 238.4 g/mol
- Monoisotopic mass
- 238.0598408
Names & identifiers
- Preferred name
- 2-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylethanamine
- IUPAC
- 2-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylethanamine
Names & synonyms
100057-55-42-(1,3-benzothiazol-2-ylsulfanyl)-N,N-dimethylethanamineCHEMBL16184684996-58-7NSC372514[2-(1,3-BENZOTHIAZOL-2-YLSULFANYL)ETHYL]DIMETHYLAMINEEnamine_002275Oprea1_489489DTXSID101005317HMS1400H09BDBM50139360EBC-06509
Show more names
AKOS005433747NSC-3725142-(2-Dimethylamino-aethylmercapto)-benzothiazolEN300-9533825AE-848/32308033[2-(Benzothiazol-2-ylsulfanyl)-ethyl]-dimethyl-amine2-[(1,3-Benzothiazol-2-yl)sulfanyl]-N,N-dimethylethan-1-amine
Database identifiers
- CAS
84996-58-7- PubChem CID
- 435595
- DTXSID
DTXSID101005317- ChEMBL
CHEMBL161846- Nikkaji
- J2.053.264E
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 69.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 199
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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