200,000+ products from a single source!
sales@angenechem.com
Home > Other Building Blocks > 26028-97-7
26028-97-7 | 3H-1,2,4-Triazole-3-thione, 4-cyclohexyl-2,4-dihydro-5-(3,4,5-trimethoxyphenyl)-
CAS No: 26028-97-7 Catalog No: AG002RF6 MDL No:MFCD01819964
Product Description
Catalog Number:
AG002RF6
Chemical Name:
3H-1,2,4-Triazole-3-thione, 4-cyclohexyl-2,4-dihydro-5-(3,4,5-trimethoxyphenyl)-
CAS Number:
26028-97-7
Molecular Formula:
C17H23N3O3S
Molecular Weight:
349.4478
MDL Number:
MFCD01819964
IUPAC Name:
4-cyclohexyl-3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C17H23N3O3S/c1-21-13-9-11(10-14(22-2)15(13)23-3)16-18-19-17(24)20(16)12-7-5-4-6-8-12/h9-10,12H,4-8H2,1-3H3,(H,19,24)
InChI Key:
RVGXNGRYLSLIIC-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)c1n[nH]c(=S)n1C1CCCCC1
Properties
Complexity:
468
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.146g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.449g/mol
Monoisotopic Mass:
349.146g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
87.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.