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89081-50-5 | 1H-1,2,4-Triazole, 1-[[2-(4-chlorophenyl)-2-thiazolidinyl]methyl]-
CAS No: 89081-50-5 Catalog No: AG0040BM MDL No:
Product Description
Catalog Number:
AG0040BM
Chemical Name:
1H-1,2,4-Triazole, 1-[[2-(4-chlorophenyl)-2-thiazolidinyl]methyl]-
CAS Number:
89081-50-5
Molecular Formula:
C12H13ClN4S
Molecular Weight:
280.7764
IUPAC Name:
2-(4-chlorophenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazolidine
InChI:
InChI=1S/C12H13ClN4S/c13-11-3-1-10(2-4-11)12(15-5-6-18-12)7-17-9-14-8-16-17/h1-4,8-9,15H,5-7H2
InChI Key:
PUJVNPDCIYGYSJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C1(NCCS1)Cn1cncn1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.055g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.774g/mol
Monoisotopic Mass:
280.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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