Home Nitriles [(4-methylphenyl)sulfanyl]formonitrile

[(4-methylphenyl)sulfanyl]formonitrile

CAS No.:
5285-74-5
Catalog Number:
AG01EJU1
Molecular Formula:
C8H7NS
Molecular Weight:
149.2129
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Product Description
Catalog Number:
AG01EJU1
Chemical Name:
[(4-methylphenyl)sulfanyl]formonitrile
CAS Number:
5285-74-5
Molecular Formula:
C8H7NS
Molecular Weight:
149.2129
MDL Number:
MFCD03762838
IUPAC Name:
(4-methylphenyl) thiocyanate
InChI:
InChI=1S/C8H7NS/c1-7-2-4-8(5-3-7)10-6-9/h2-5H,1H3
InChI Key:
VDURJIGQVKMELT-UHFFFAOYSA-N
SMILES:
N#CSc1ccc(cc1)C
Properties
Complexity:
139  
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:
0
Isotope Atom Count:
0
Molecular Weight:
149.211g/mol
Monoisotopic Mass:
149.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
Properties