Name: Name:5-(methylthio)-valeronitrile,5-(methylthio)-pentanenitrile,1-cyano-4-(methylthio)butane,5-methylthiopentanenitrile
Brand: Angene
SKU: AG00F230
Rating: 90 (10 reviews)

5-(methylthio)-valeronitrile,5-(methylthio)-pentanenitrile,1-cyano-4-(methylthio)butane,5-methylthiopentanenitrile

CAS No.:

59121-25-4

Catalog Number:

AG00F230

Molecular Formula:

C6H11NS

Molecular Weight:

129.2232

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

Product Description

Catalog Number:

AG00F230

Chemical Name:

5-(methylthio)-valeronitrile,5-(methylthio)-pentanenitrile,1-cyano-4-(methylthio)butane,5-methylthiopentanenitrile

CAS Number:

59121-25-4

Molecular Formula:

C6H11NS

Molecular Weight:

129.2232

IUPAC Name:

5-methylsulfanylpentanenitrile

InChI:

InChI=1S/C6H11NS/c1-8-6-4-2-3-5-7/h2-4,6H2,1H3

InChI Key:

XPUDGEZWSNPCMM-UHFFFAOYSA-N

SMILES:

CSCCCCC#N

Properties

Complexity:

81.8

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

129.061g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

129.221g/mol

Monoisotopic Mass:

129.061g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

49.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3

Literature

Title	Journal
Phytochemical analysis and antimicrobial activity of Cardaria draba (L.) Desv. volatiles.	Chemistry & biodiversity 20110601
Aroma compound analysis of Eruca sativa (Brassicaceae) SPME headspace leaf samples using GC, GC-MS, and olfactometry.	Journal of agricultural and food chemistry 20020731