Home Other Building Blocks 4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-one

4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-one

CAS No.:
1864061-40-4
Catalog Number:
AG01C1DQ
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
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Product Description
Catalog Number:
AG01C1DQ
Chemical Name:
4-methyl-4,5,6,7-tetrahydro-1-benzothiophen-7-one
CAS Number:
1864061-40-4
Molecular Formula:
C9H10OS
Molecular Weight:
166.2401
MDL Number:
MFCD29041381
IUPAC Name:
4-methyl-5,6-dihydro-4H-1-benzothiophen-7-one
InChI:
InChI=1S/C9H10OS/c1-6-2-3-8(10)9-7(6)4-5-11-9/h4-6H,2-3H2,1H3
InChI Key:
LKGDFFCKTOFWNX-UHFFFAOYSA-N
SMILES:
CC1CCC(=O)c2c1ccs2
Properties
Complexity:
178  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.045g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.238g/mol
Monoisotopic Mass:
166.045g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties