n-Ethyl-n-[(propan-2-ylsulfanyl)methyl]ethanamine

HCID 245697

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Basic information

CAS: 6631-70-5
Standard SMILES: CCN(CC)CSC(C)C
InChIKey: MZUBSHOGWXUPDT-UHFFFAOYSA-N
Molecular formula: C8H19NS
Average molar mass: 161.31 g/mol
Monoisotopic mass: 161.12382078

Names & identifiers

Preferred name: n-Ethyl-n-[(propan-2-ylsulfanyl)methyl]ethanamine
IUPAC: N-ethyl-N-(propan-2-ylsulfanylmethyl)ethanamine

Names & synonyms

6631-70-5n-ethyl-n-[(propan-2-ylsulfanyl)methyl]ethanamineN-ethyl-N-(propan-2-ylsulfanylmethyl)ethanamineNSC57918DTXSID30288859NSC-57918DS-002495N-ethyl-N-(propan-2-ylsulfanylmethyl)ethan-amineN-Ethyl-N-{[(propan-2-yl)sulfanyl]methyl}ethanamine

Database identifiers

CAS: 6631-70-5
PubChem CID: 245697
DTXSID: DTXSID30288859

Properties

Computed structural properties

XLogP: 2.5
Topological polar surface area: 28.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 5
Heavy atoms: 10
Formal charge: 0
Complexity: 69.7

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