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125150-88-1 | Benzo[c]thiophene, 4,5,6,7-tetrahydro-1-(methylthio)-
CAS No: 125150-88-1 Catalog No: AG000N9G MDL No:
Product Description
Catalog Number:
AG000N9G
Chemical Name:
Benzo[c]thiophene, 4,5,6,7-tetrahydro-1-(methylthio)-
CAS Number:
125150-88-1
Molecular Formula:
C9H12S2
Molecular Weight:
184.3216
IUPAC Name:
1-methylsulfanyl-4,5,6,7-tetrahydro-2-benzothiophene
InChI:
InChI=1S/C9H12S2/c1-10-9-8-5-3-2-4-7(8)6-11-9/h6H,2-5H2,1H3
InChI Key:
XVGRDQQSDYDRHF-UHFFFAOYSA-N
SMILES:
CSc1scc2c1CCCC2
Properties
Complexity:
136
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.038g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
184.315g/mol
Monoisotopic Mass:
184.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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