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89442-13-7 | 4-Thiazolidinethione, 2-(4-chlorophenyl)-3-pyrazinyl-
CAS No: 89442-13-7 Catalog No: AG0043IL MDL No:
Product Description
Catalog Number:
AG0043IL
Chemical Name:
4-Thiazolidinethione, 2-(4-chlorophenyl)-3-pyrazinyl-
CAS Number:
89442-13-7
Molecular Formula:
C13H10ClN3S2
Molecular Weight:
307.8216
IUPAC Name:
2-(4-chlorophenyl)-3-pyrazin-2-yl-1,3-thiazolidine-4-thione
InChI:
InChI=1S/C13H10ClN3S2/c14-10-3-1-9(2-4-10)13-17(12(18)8-19-13)11-7-15-5-6-16-11/h1-7,13H,8H2
InChI Key:
GOLFAMGSKZQIMR-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1SCC(=S)N1c1cnccn1
Properties
Complexity:
334
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.814g/mol
Monoisotopic Mass:
307g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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