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113618-49-8 | Benzo[c]thiophene, 1,3,4,5,6,7-hexahydro-1-methyl-, 2,2-dioxide
CAS No: 113618-49-8 Catalog No: AG00096A MDL No:
Product Description
Catalog Number:
AG00096A
Chemical Name:
Benzo[c]thiophene, 1,3,4,5,6,7-hexahydro-1-methyl-, 2,2-dioxide
CAS Number:
113618-49-8
Molecular Formula:
C9H14O2S
Molecular Weight:
186.2713
IUPAC Name:
1-methyl-1,3,4,5,6,7-hexahydro-2-benzothiophene 2,2-dioxide
InChI:
InChI=1S/C9H14O2S/c1-7-9-5-3-2-4-8(9)6-12(7,10)11/h7H,2-6H2,1H3
InChI Key:
NMDNNRJNYXTUJG-UHFFFAOYSA-N
SMILES:
CC1C2=C(CS1(=O)=O)CCCC2
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.071g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.269g/mol
Monoisotopic Mass:
186.071g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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