Home Nitriles 1H-2-Benzothiopyran-1-carbonitrile, 3,4-dihydro-

1H-2-Benzothiopyran-1-carbonitrile, 3,4-dihydro-

CAS No.:
13329-15-2
Catalog Number:
AG0014JU
Molecular Formula:
C10H9NS
Molecular Weight:
175.2502
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG0014JU
Chemical Name:
1H-2-Benzothiopyran-1-carbonitrile, 3,4-dihydro-
CAS Number:
13329-15-2
Molecular Formula:
C10H9NS
Molecular Weight:
175.2502
MDL Number:
MFCD01850932
IUPAC Name:
3,4-dihydro-1H-isothiochromene-1-carbonitrile
InChI:
InChI=1S/C10H9NS/c11-7-10-9-4-2-1-3-8(9)5-6-12-10/h1-4,10H,5-6H2
InChI Key:
FENGQBWPTISRMX-UHFFFAOYSA-N
SMILES:
N#CC1SCCc2c1cccc2
Properties
Complexity:
205  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.046g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.249g/mol
Monoisotopic Mass:
175.046g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties