5-Mercaptopentanenitrile

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Catalog Number
ACM1053658379
Product Name
5-Mercaptopentanenitrile
Structure
Structure
CAS
1053658-37-9
Category
Biomaterials
Synonyms
4-Cyano-1-butanethiol;5-Mercaptopentanenitrile
IUPAC Name
5-sulfanylpentanenitrile
Molecular Weight
115.2g/mol
Molecular Formula
C5H9NS
Canonical SMILES
C(CCS)CC#N
InChI
InChI=1S/C5H9NS/c6-4-2-1-3-5-7/h7H,1-3,5H2
InChI Key
PABCJNLBWRWMLO-UHFFFAOYSA-N
Complexity
71.4
Covalently-Bonded Unit Count
1
Exact Mass
115.04557g/mol
Formal Charge
0
H-Bond Acceptor
2
H-Bond Donor
1
Heavy Atom Count
7
Monoisotopic Mass
115.04557g/mol
Rotatable Bond Count
3
XLogP3
0.9
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