200,000+ products from a single source!
sales@angenechem.com
Home > Nitro Compounds > 305336-16-7
305336-16-7 | 4-cyclohexyl-5-(3-methyl-2-nitrophenyl)-4H-1,2,4-triazole-3-thiol
CAS No: 305336-16-7 Catalog No: AG01A0UP MDL No:MFCD01912737
Product Description
Catalog Number:
AG01A0UP
Chemical Name:
4-cyclohexyl-5-(3-methyl-2-nitrophenyl)-4H-1,2,4-triazole-3-thiol
CAS Number:
305336-16-7
Molecular Formula:
C15H18N4O2S
Molecular Weight:
318.3940
MDL Number:
MFCD01912737
IUPAC Name:
4-cyclohexyl-3-(3-methyl-2-nitrophenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C15H18N4O2S/c1-10-6-5-9-12(13(10)19(20)21)14-16-17-15(22)18(14)11-7-3-2-4-8-11/h5-6,9,11H,2-4,7-8H2,1H3,(H,17,22)
InChI Key:
JXKBGOZBCHNBLF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)cccc1c1nnc(n1C1CCCCC1)S
Properties
Complexity:
484
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
318.115g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.395g/mol
Monoisotopic Mass:
318.115g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.