Home Other Building Blocks 4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl-

4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl-

CAS No.:
826-86-8
Catalog Number:
AG005B9A
Molecular Formula:
C10H10OS
Molecular Weight:
178.2508
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Product Description
Catalog Number:
AG005B9A
Chemical Name:
4H-1-Benzothiopyran-4-one, 2,3-dihydro-2-methyl-
CAS Number:
826-86-8
Molecular Formula:
C10H10OS
Molecular Weight:
178.2508
MDL Number:
MFCD12131644
IUPAC Name:
2-methyl-2,3-dihydrothiochromen-4-one
InChI:
InChI=1S/C10H10OS/c1-7-6-9(11)8-4-2-3-5-10(8)12-7/h2-5,7H,6H2,1H3
InChI Key:
YSYYFHVHCXBCCS-UHFFFAOYSA-N
SMILES:
CC1CC(=O)c2c(S1)cccc2
Properties
Complexity:
190  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.045g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.249g/mol
Monoisotopic Mass:
178.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties