Home Other Building Blocks 2,2-dimethyl-3,4-dihydro-2H-1-benzothiopyran-4-one

2,2-dimethyl-3,4-dihydro-2H-1-benzothiopyran-4-one

CAS No.:
28035-02-1
Catalog Number:
AG01BROE
Molecular Formula:
C11H12OS
Molecular Weight:
192.2774
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Product Description
Catalog Number:
AG01BROE
Chemical Name:
2,2-dimethyl-3,4-dihydro-2H-1-benzothiopyran-4-one
CAS Number:
28035-02-1
Molecular Formula:
C11H12OS
Molecular Weight:
192.2774
MDL Number:
MFCD03066147
IUPAC Name:
2,2-dimethyl-3H-thiochromen-4-one
InChI:
InChI=1S/C11H12OS/c1-11(2)7-9(12)8-5-3-4-6-10(8)13-11/h3-6H,7H2,1-2H3
InChI Key:
FJMCSSKIPWJNLP-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)Sc2c1cccc2
Properties
Complexity:
222  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.061g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.276g/mol
Monoisotopic Mass:
192.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  
Properties