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

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

CAS No.:
120783-43-9
Catalog Number:
AG01B7UO
Molecular Formula:
C10H9NS
Molecular Weight:
175.2502
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Product Description
Catalog Number:
AG01B7UO
Chemical Name:
3,4-dihydro-2H-1-benzothiopyran-4-carbonitrile
CAS Number:
120783-43-9
Molecular Formula:
C10H9NS
Molecular Weight:
175.2502
MDL Number:
MFCD30535576
IUPAC Name:
3,4-dihydro-2H-thiochromene-4-carbonitrile
InChI:
InChI=1S/C10H9NS/c11-7-8-5-6-12-10-4-2-1-3-9(8)10/h1-4,8H,5-6H2
InChI Key:
BHTXVWDNWFMDQY-UHFFFAOYSA-N
SMILES:
N#CC1CCSc2c1cccc2
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:
2.3  
Properties