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89081-58-3 | 1H-1,2,4-Triazole, 1-[[2-(2,5-dimethylphenyl)-2-thiazolidinyl]methyl]-
CAS No: 89081-58-3 Catalog No: AG00879L MDL No:
Product Description
Catalog Number:
AG00879L
Chemical Name:
1H-1,2,4-Triazole, 1-[[2-(2,5-dimethylphenyl)-2-thiazolidinyl]methyl]-
CAS Number:
89081-58-3
Molecular Formula:
C14H18N4S
Molecular Weight:
274.3845
IUPAC Name:
2-(2,5-dimethylphenyl)-2-(1,2,4-triazol-1-ylmethyl)-1,3-thiazolidine
InChI:
InChI=1S/C14H18N4S/c1-11-3-4-12(2)13(7-11)14(16-5-6-19-14)8-18-10-15-9-17-18/h3-4,7,9-10,16H,5-6,8H2,1-2H3
InChI Key:
DFEVKAOTEJOTRA-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C1(NCCS1)Cn1cncn1)C
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.125g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.386g/mol
Monoisotopic Mass:
274.125g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
68A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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