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95213-81-3 | 2-Thiazolidinone, 3-(phenylmethyl)-4-thioxo-
CAS No: 95213-81-3 Catalog No: AG006OL7 MDL No:MFCD06253948
Product Description
Catalog Number:
AG006OL7
Chemical Name:
2-Thiazolidinone, 3-(phenylmethyl)-4-thioxo-
CAS Number:
95213-81-3
Molecular Formula:
C10H9NOS2
Molecular Weight:
223.3146
MDL Number:
MFCD06253948
IUPAC Name:
3-benzyl-4-sulfanylidene-1,3-thiazolidin-2-one
InChI:
InChI=1S/C10H9NOS2/c12-10-11(9(13)7-14-10)6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:
OEBJCIQIUFWPRX-UHFFFAOYSA-N
SMILES:
S=C1CSC(=O)N1Cc1ccccc1
Properties
Complexity:
249
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:
2
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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