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133359-79-2 | Butanoic acid, 3-(2-thienylthio)-, methyl ester, (3S)-
CAS No: 133359-79-2 Catalog No: AG0014QK MDL No:MFCD23703096
Product Description
Catalog Number:
AG0014QK
Chemical Name:
Butanoic acid, 3-(2-thienylthio)-, methyl ester, (3S)-
CAS Number:
133359-79-2
Molecular Formula:
C9H12O2S2
Molecular Weight:
216.3204
MDL Number:
MFCD23703096
IUPAC Name:
methyl (3S)-3-thiophen-2-ylsulfanylbutanoate
InChI:
InChI=1S/C9H12O2S2/c1-7(6-8(10)11-2)13-9-4-3-5-12-9/h3-5,7H,6H2,1-2H3/t7-/m0/s1
InChI Key:
HWLDYKJDDGJZSN-ZETCQYMHSA-N
SMILES:
COC(=O)C[C@@H](Sc1cccs1)C
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
216.028g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
216.313g/mol
Monoisotopic Mass:
216.028g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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