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23522-38-5 | 4-Thiazolidinone, 3-(3-methylphenyl)-2-thioxo-
CAS No: 23522-38-5 Catalog No: AG002NK0 MDL No:MFCD00087336
Product Description
Catalog Number:
AG002NK0
Chemical Name:
4-Thiazolidinone, 3-(3-methylphenyl)-2-thioxo-
CAS Number:
23522-38-5
Molecular Formula:
C10H9NOS2
Molecular Weight:
223.3146
MDL Number:
MFCD00087336
IUPAC Name:
3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C10H9NOS2/c1-7-3-2-4-8(5-7)11-9(12)6-14-10(11)13/h2-5H,6H2,1H3
InChI Key:
SWXZAZUMBRCACD-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)N1C(=S)SCC1=O
UNII:
N501N6TY7K
NSC Number:
32124
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.013g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.308g/mol
Monoisotopic Mass:
223.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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