Home Nitriles (Methylthio)acetonitrile

(Methylthio)acetonitrile

CAS No.:
35120-10-6
Catalog Number:
AG003C1L
Molecular Formula:
C3H5NS
Molecular Weight:
87.1435
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$47
- +
25g
95%
In Stock USA
United States
$157
- +
100g
95%
In Stock USA
United States
$488
- +
Product Description
Catalog Number:
AG003C1L
Chemical Name:
(Methylthio)acetonitrile
CAS Number:
35120-10-6
Molecular Formula:
C3H5NS
Molecular Weight:
87.1435
MDL Number:
MFCD00001925
IUPAC Name:
2-methylsulfanylacetonitrile
InChI:
InChI=1S/C3H5NS/c1-5-3-2-4/h3H2,1H3
InChI Key:
ZRIGDBVSVFSVLL-UHFFFAOYSA-N
SMILES:
CSCC#N
EC Number:
252-383-0
NSC Number:
207831
Properties
Complexity:
51.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
87.014g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
87.14g/mol
Monoisotopic Mass:
87.014g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Literature
Title Journal
Enzymatic characterization of the recombinant Arabidopsis thaliana nitrilase subfamily encoded by the NIT2/NIT1/NIT3-gene cluster. Planta 20010301
Properties