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34392-97-7 | 3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CAS No: 34392-97-7 Catalog No: AG00VSP7 MDL No:MFCD02983486
Product Description
Catalog Number:
AG00VSP7
Chemical Name:
3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CAS Number:
34392-97-7
Molecular Formula:
C11H11NOS2
Molecular Weight:
237.3411
MDL Number:
MFCD02983486
IUPAC Name:
3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H11NOS2/c1-8-2-4-9(5-3-8)6-12-10(13)7-15-11(12)14/h2-5H,6-7H2,1H3
InChI Key:
ZEZSJEPMPURQRH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CN1C(=S)SCC1=O
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.335g/mol
Monoisotopic Mass:
237.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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