Home Other Building Blocks 5,5-dimethyl-5H,6H,7H-thieno[3,2-b]pyran-7-one

5,5-dimethyl-5H,6H,7H-thieno[3,2-b]pyran-7-one

CAS No.:
129969-30-8
Catalog Number:
AG01BBFR
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
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Product Description
Catalog Number:
AG01BBFR
Chemical Name:
5,5-dimethyl-5H,6H,7H-thieno[3,2-b]pyran-7-one
CAS Number:
129969-30-8
Molecular Formula:
C9H10O2S
Molecular Weight:
182.2395
MDL Number:
MFCD22064387
IUPAC Name:
5,5-dimethyl-6H-thieno[3,2-b]pyran-7-one
InChI:
InChI=1S/C9H10O2S/c1-9(2)5-6(10)8-7(11-9)3-4-12-8/h3-4H,5H2,1-2H3
InChI Key:
NGCQGLVSMGNFAB-UHFFFAOYSA-N
SMILES:
O=C1CC(C)(C)Oc2c1scc2
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.04g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
182.237g/mol
Monoisotopic Mass:
182.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties