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266312-58-7 | 3H-1,2,4-Triazole-3-thione, 5-(2,4-dichlorophenyl)-4-(2-furanylmethyl)-2,4-dihydro-
CAS No: 266312-58-7 Catalog No: AG002TWH MDL No:MFCD01567266
Product Description
Catalog Number:
AG002TWH
Chemical Name:
3H-1,2,4-Triazole-3-thione, 5-(2,4-dichlorophenyl)-4-(2-furanylmethyl)-2,4-dihydro-
CAS Number:
266312-58-7
Molecular Formula:
C13H9Cl2N3OS
Molecular Weight:
326.2011
MDL Number:
MFCD01567266
IUPAC Name:
3-(2,4-dichlorophenyl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C13H9Cl2N3OS/c14-8-3-4-10(11(15)6-8)12-16-17-13(20)18(12)7-9-2-1-5-19-9/h1-6H,7H2,(H,17,20)
InChI Key:
SJNKYBFZSVMFGR-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)Cl)c1n[nH]c(=S)n1Cc1ccco1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.984g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
326.195g/mol
Monoisotopic Mass:
324.984g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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