3-{[2-(2-Cyanoethoxy)ethyl]sulfanyl}propanenitrile

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Basic information

CAS: 62508-38-7
Standard SMILES: N#CCCOCCSCCC#N
InChIKey: CTMLAYSMVIDZBU-UHFFFAOYSA-N
Molecular formula: C8H12N2OS
Average molar mass: 184.26 g/mol
Monoisotopic mass: 184.06703418

Names & identifiers

Preferred name: 3-{[2-(2-Cyanoethoxy)ethyl]sulfanyl}propanenitrile
IUPAC: 3-[2-(2-cyanoethylsulfanyl)ethoxy]propanenitrile

Names & synonyms

62508-38-73-{[2-(2-cyanoethoxy)ethyl]sulfanyl}propanenitrileNSC22484-Oxa-7-thiadecanedinitrileSCHEMBL10939634DTXSID70277404CTMLAYSMVIDZBU-UHFFFAOYSA-NNSC-22483-[2-[(2-CYANOETHYL)THIO]ETHOXY]PROPIONITRILE

Database identifiers

CAS: 62508-38-7
PubChem CID: 220035
DTXSID: DTXSID70277404

Properties

Computed structural properties

XLogP: 0.1
Topological polar surface area: 82.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 12
Formal charge: 0
Complexity: 188

Related reactions

1 records

New reaction record

HRID 1287198As productuspto-grants-1976_10

Compound notes

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