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167090-33-7 | Pentanoic acid, 2-(acetylthio)-3-methyl-, (2S,3S)-
CAS No: 167090-33-7 Catalog No: AG001X4D MDL No:
Product Description
Catalog Number:
AG001X4D
Chemical Name:
Pentanoic acid, 2-(acetylthio)-3-methyl-, (2S,3S)-
CAS Number:
167090-33-7
Molecular Formula:
C8H14O3S
Molecular Weight:
190.2600
IUPAC Name:
(2S,3S)-2-acetylsulfanyl-3-methylpentanoic acid
InChI:
InChI=1S/C8H14O3S/c1-4-5(2)7(8(10)11)12-6(3)9/h5,7H,4H2,1-3H3,(H,10,11)/t5-,7-/m0/s1
InChI Key:
PKDOASLXKLPXCU-FSPLSTOPSA-N
SMILES:
CC[C@@H]([C@@H](C(=O)O)SC(=O)C)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
190.066g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.257g/mol
Monoisotopic Mass:
190.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
79.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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