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175202-53-6 | Benzo[c]thiophene-1-carboxylic acid, 6,7-dihydro-3-(methylthio)-, ethyl ester
CAS No: 175202-53-6 Catalog No: AG0020H9 MDL No:MFCD00112863
Product Description
Catalog Number:
AG0020H9
Chemical Name:
Benzo[c]thiophene-1-carboxylic acid, 6,7-dihydro-3-(methylthio)-, ethyl ester
CAS Number:
175202-53-6
Molecular Formula:
C12H14O2S2
Molecular Weight:
254.3684
MDL Number:
MFCD00112863
IUPAC Name:
ethyl 3-methylsulfanyl-6,7-dihydro-2-benzothiophene-1-carboxylate
InChI:
InChI=1S/C12H14O2S2/c1-3-14-11(13)10-8-6-4-5-7-9(8)12(15-2)16-10/h5,7H,3-4,6H2,1-2H3
InChI Key:
IGRGABSJPCJFID-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sc(c2c1CCC=C2)SC
Properties
Complexity:
291
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.362g/mol
Monoisotopic Mass:
254.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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