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94602-20-7 | S-2,4-Dimethylphenylthioacetate
CAS No: 94602-20-7 Catalog No: AG01FEYX MDL No:
Product Description
Catalog Number:
AG01FEYX
Chemical Name:
S-2,4-Dimethylphenylthioacetate
CAS Number:
94602-20-7
Molecular Formula:
C10H12OS
Molecular Weight:
180.2667
IUPAC Name:
S-(2,4-dimethylphenyl) ethanethioate
InChI:
InChI=1S/C10H12OS/c1-7-4-5-10(8(2)6-7)12-9(3)11/h4-6H,1-3H3
InChI Key:
VOOIXSSVQSQNCC-UHFFFAOYSA-N
SMILES:
CC(=O)Sc1ccc(cc1C)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.061g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.265g/mol
Monoisotopic Mass:
180.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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