2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylethanamine

HCID 435596

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Basic information

CAS: 46421-73-2
Standard SMILES: CN(C)CCSc1nc2ccccc2o1
InChIKey: NRGIMNFVKHZTNJ-UHFFFAOYSA-N
Molecular formula: C11H14N2OS
Average molar mass: 222.31 g/mol
Monoisotopic mass: 222.08268425

Names & identifiers

Preferred name: 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylethanamine
IUPAC: 2-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylethanamine

Names & synonyms

84996-60-1NSC3725152-(1,3-benzoxazol-2-ylsulfanyl)-N,N-dimethylethanamineDTXSID50331139NSC-3725152-[(1,3-Benzoxazol-2-yl)sulfanyl]-N,N-dimethylethan-1-amine

Database identifiers

CAS: 46421-73-2、84996-60-1
PubChem CID: 435596
DTXSID: DTXSID50331139

Properties

Computed structural properties

XLogP: 2.8
Topological polar surface area: 54.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 4
Heavy atoms: 15
Formal charge: 0
Complexity: 201

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