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168279-57-0 | Benzo[c]thiophen-4(5H)-one, 6,7-dihydro-3-(methylthio)-
CAS No: 168279-57-0 Catalog No: AG001XZ7 MDL No:MFCD00107351
Product Description
Catalog Number:
AG001XZ7
Chemical Name:
Benzo[c]thiophen-4(5H)-one, 6,7-dihydro-3-(methylthio)-
CAS Number:
168279-57-0
Molecular Formula:
C9H10OS2
Molecular Weight:
198.3051
MDL Number:
MFCD00107351
IUPAC Name:
3-methylsulfanyl-6,7-dihydro-5H-2-benzothiophen-4-one
InChI:
InChI=1S/C9H10OS2/c1-11-9-8-6(5-12-9)3-2-4-7(8)10/h5H,2-4H2,1H3
InChI Key:
HXBFYPGUFUUNLO-UHFFFAOYSA-N
SMILES:
CSc1scc2c1C(=O)CCC2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.017g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
198.298g/mol
Monoisotopic Mass:
198.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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