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23605-91-6 | 4-Thiazolidinone, 5-ethyl-3-(3-methylphenyl)-2-thioxo-
CAS No: 23605-91-6 Catalog No: AG002NVE MDL No:
Product Description
Catalog Number:
AG002NVE
Chemical Name:
4-Thiazolidinone, 5-ethyl-3-(3-methylphenyl)-2-thioxo-
CAS Number:
23605-91-6
Molecular Formula:
C12H13NOS2
Molecular Weight:
251.3677
IUPAC Name:
5-ethyl-3-(3-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C12H13NOS2/c1-3-10-11(14)13(12(15)16-10)9-6-4-5-8(2)7-9/h4-7,10H,3H2,1-2H3
InChI Key:
HPVNGUCBRGIQDH-UHFFFAOYSA-N
SMILES:
CCC1SC(=S)N(C1=O)c1cccc(c1)C
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.044g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.362g/mol
Monoisotopic Mass:
251.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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