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89373-35-3 | Propanethioic acid, 3-(acetylthio)-2-methyl-, S-phenyl ester, (R)-
CAS No: 89373-35-3 Catalog No: AG003X3R MDL No:
Product Description
Catalog Number:
AG003X3R
Chemical Name:
Propanethioic acid, 3-(acetylthio)-2-methyl-, S-phenyl ester, (R)-
CAS Number:
89373-35-3
Molecular Formula:
C12H14O2S2
Molecular Weight:
254.3684
IUPAC Name:
S-phenyl 3-acetylsulfanyl-2-methylpropanethioate
InChI:
InChI=1S/C12H14O2S2/c1-9(8-15-10(2)13)12(14)16-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
InChI Key:
JZUAYIBHVKDOBV-UHFFFAOYSA-N
SMILES:
C[C@@H](C(=O)Sc1ccccc1)CSC(=O)C
Properties
Complexity:
247
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:
6
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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