Home Nitriles 2-methyl-5-sulfanylbenzonitrile

2-methyl-5-sulfanylbenzonitrile

CAS No.:
1824651-94-6
Catalog Number:
AG00K7SB
Molecular Formula:
C8H7NS
Molecular Weight:
149.2129
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
99%
1 week
United States
$510
- +
5g
99%
1 week
United States
$2135
- +
Product Description
Catalog Number:
AG00K7SB
Chemical Name:
2-methyl-5-sulfanylbenzonitrile
CAS Number:
1824651-94-6
Molecular Formula:
C8H7NS
Molecular Weight:
149.2129
MDL Number:
MFCD22481271
IUPAC Name:
2-methyl-5-sulfanylbenzonitrile
InChI:
InChI=1S/C8H7NS/c1-6-2-3-8(10)4-7(6)5-9/h2-4,10H,1H3
InChI Key:
OOGRCFHBEHMXTA-UHFFFAOYSA-N
SMILES:
N#Cc1cc(S)ccc1C
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.03g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
149.211g/mol
Monoisotopic Mass:
149.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties