N,N-Diethyl-4-(6-methoxy-2-benzothiazolyl)benzenamine
Basic information
- CAS
10205-72-8- Standard SMILES
CCN(CC)c1ccc(-c2nc3ccc(OC)cc3s2)cc1- InChIKey
LMHHJHUWODDUIC-UHFFFAOYSA-N- Molecular formula
- C18H20N2OS
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.12963444
Names & identifiers
- Preferred name
- N,N-Diethyl-4-(6-methoxy-2-benzothiazolyl)benzenamine
- IUPAC
- N,N-diethyl-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline
Names & synonyms
DTXSID901216132N,N-Diethyl-4-(6-methoxy-2-benzothiazolyl)benzenamineN,N-diethyl-4-(6-methoxy-1,3-benzothiazol-2-yl)aniline10205-72-8
Database identifiers
- CAS
10205-72-8- PubChem CID
- 85528997
- DTXSID
DTXSID901216132
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 53.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 342
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Compound notes
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