3-Propan-2-ylsulfanylpropanenitrile

Substructure search Find similar structures

Basic information

CAS: 53584-04-6
Standard SMILES: CC(C)SCCC#N
InChIKey: JHAMSNXTZUOQNB-UHFFFAOYSA-N
Molecular formula: C6H11NS
Average molar mass: 129.23 g/mol
Monoisotopic mass: 129.06122053

Names & identifiers

Preferred name: 3-Propan-2-ylsulfanylpropanenitrile
IUPAC: 3-propan-2-ylsulfanylpropanenitrile

Names & synonyms

3-propan-2-ylsulfanylpropanenitrile53584-04-6NSC-22373-(ISOPROPYLTHIO)PROPIONITRILENSC2237HTW7N885ZK2-Cyanoethyl isopropyl sulfideSCHEMBL8932273DTXSID30277400AKOS0101077083-[(1-Methylethyl)thio]propanenitrile3-[(Propan-2-yl)sulfanyl]propanenitrile

Show more names

Propanenitrile, 3-[(1-methylethyl)thio]-DS-004957

Database identifiers

CAS: 53584-04-6
PubChem CID: 220030
DTXSID: DTXSID30277400
UNII: HTW7N885ZK
Nikkaji: J2.732.937C

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 49.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 8
Formal charge: 0
Complexity: 89.9

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…