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13037-55-3 | 4-Thiazolidinone, 3-(4-chlorophenyl)-2-thioxo-
CAS No: 13037-55-3 Catalog No: AG000UBT MDL No:MFCD00022553
Product Description
Catalog Number:
AG000UBT
Chemical Name:
4-Thiazolidinone, 3-(4-chlorophenyl)-2-thioxo-
CAS Number:
13037-55-3
Molecular Formula:
C9H6ClNOS2
Molecular Weight:
243.7330
MDL Number:
MFCD00022553
IUPAC Name:
3-(4-chlorophenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C9H6ClNOS2/c10-6-1-3-7(4-2-6)11-8(12)5-14-9(11)13/h1-4H,5H2
InChI Key:
JRWQAQZBEVDDQC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)N1C(=S)SCC1=O
NSC Number:
32120
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.958g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.723g/mol
Monoisotopic Mass:
242.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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