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26029-13-0 | 3H-1,2,4-Triazole-3-thione, 5-(2-chlorophenyl)-4-ethyl-2,4-dihydro-
CAS No: 26029-13-0 Catalog No: AG002RF1 MDL No:MFCD04056920
Product Description
Catalog Number:
AG002RF1
Chemical Name:
3H-1,2,4-Triazole-3-thione, 5-(2-chlorophenyl)-4-ethyl-2,4-dihydro-
CAS Number:
26029-13-0
Molecular Formula:
C10H10ClN3S
Molecular Weight:
239.7245
MDL Number:
MFCD04056920
IUPAC Name:
3-(2-chlorophenyl)-4-ethyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C10H10ClN3S/c1-2-14-9(12-13-10(14)15)7-5-3-4-6-8(7)11/h3-6H,2H2,1H3,(H,13,15)
InChI Key:
GTLAVOKFTAGRKS-UHFFFAOYSA-N
SMILES:
CCn1c(=S)[nH]nc1c1ccccc1Cl
Properties
Complexity:
292
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.028g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.721g/mol
Monoisotopic Mass:
239.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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