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10230-69-0 | 2-Propanone, 1-[(phenylmethyl)thio]-
CAS No: 10230-69-0 Catalog No: AG00075I MDL No:MFCD00026241
Product Description
Catalog Number:
AG00075I
Chemical Name:
2-Propanone, 1-[(phenylmethyl)thio]-
CAS Number:
10230-69-0
Molecular Formula:
C10H12OS
Molecular Weight:
180.2667
MDL Number:
MFCD00026241
IUPAC Name:
1-benzylsulfanylpropan-2-one
InChI:
InChI=1S/C10H12OS/c1-9(11)7-12-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3
InChI Key:
OIEDQMIEPJIRFT-UHFFFAOYSA-N
SMILES:
CC(=O)CSCc1ccccc1
EC Number:
233-552-8
Properties
Complexity:
139
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:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
Literature
| Title | Journal |
|---|---|
| Biotransformation of beta-ketosulfides to produce chiral beta-hydroxysulfoxides. | Journal of industrial microbiology & biotechnology 20030501 |
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