200,000+ products from a single source!
sales@angenechem.com
124998-68-1 | 3H-1,2,4-Triazole-3-thione, 4-(4-chlorophenyl)-5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro-
CAS No: 124998-68-1 Catalog No: AG000MYB MDL No:MFCD00177232
Product Description
Catalog Number:
AG000MYB
Chemical Name:
3H-1,2,4-Triazole-3-thione, 4-(4-chlorophenyl)-5-[4-(1,1-dimethylethyl)phenyl]-2,4-dihydro-
CAS Number:
124998-68-1
Molecular Formula:
C18H18ClN3S
Molecular Weight:
343.8736
MDL Number:
MFCD00177232
IUPAC Name:
3-(4-tert-butylphenyl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C18H18ClN3S/c1-18(2,3)13-6-4-12(5-7-13)16-20-21-17(23)22(16)15-10-8-14(19)9-11-15/h4-11H,1-3H3,(H,21,23)
InChI Key:
XKULROXVGOGMDR-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1c(=S)[nH]nc1c1ccc(cc1)C(C)(C)C
Properties
Complexity:
469
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.091g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
343.873g/mol
Monoisotopic Mass:
343.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.