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133359-80-5 | Butanoic acid, 3-(2-thienylthio)-, (3S)-
CAS No: 133359-80-5 Catalog No: AG0014QJ MDL No:MFCD03411620
Product Description
Catalog Number:
AG0014QJ
Chemical Name:
Butanoic acid, 3-(2-thienylthio)-, (3S)-
CAS Number:
133359-80-5
Molecular Formula:
C8H10O2S2
Molecular Weight:
202.2938
MDL Number:
MFCD03411620
IUPAC Name:
(3S)-3-thiophen-2-ylsulfanylbutanoic acid
InChI:
InChI=1S/C8H10O2S2/c1-6(5-7(9)10)12-8-3-2-4-11-8/h2-4,6H,5H2,1H3,(H,9,10)/t6-/m0/s1
InChI Key:
SIFFRIHCTBGQTC-LURJTMIESA-N
SMILES:
OC(=O)C[C@@H](Sc1cccs1)C
EC Number:
948-811-7
Properties
Complexity:
161
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
202.012g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.286g/mol
Monoisotopic Mass:
202.012g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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