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13329-15-2 | 1H-2-Benzothiopyran-1-carbonitrile, 3,4-dihydro-
CAS No: 13329-15-2 Catalog No: AG0014JU MDL No:MFCD01850932
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
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