Name: Name:5-(4-tert-butylphenyl)-4-(2-methylheptyl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019HHC
Rating: 90 (10 reviews)

5-(4-tert-butylphenyl)-4-(2-methylheptyl)-4H-1,2,4-triazole-3-thiol

CAS No.:

748776-70-7

Catalog Number:

AG019HHC

Molecular Formula:

C20H31N3S

Molecular Weight:

345.5452

Catalog Number:

AG019HHC

Chemical Name:

5-(4-tert-butylphenyl)-4-(2-methylheptyl)-4H-1,2,4-triazole-3-thiol

CAS Number:

748776-70-7

Molecular Formula:

C20H31N3S

Molecular Weight:

345.5452

MDL Number:

MFCD03653088

IUPAC Name:

3-(4-tert-butylphenyl)-4-(2-methylheptyl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C20H31N3S/c1-6-7-8-9-15(2)14-23-18(21-22-19(23)24)16-10-12-17(13-11-16)20(3,4)5/h10-13,15H,6-9,14H2,1-5H3,(H,22,24)

InChI Key:

MBWANCKRNUYEQV-UHFFFAOYSA-N

SMILES:

CCCCCC(Cn1c(S)nnc1c1ccc(cc1)C(C)(C)C)C

Complexity:

444

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

345.224g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

345.549g/mol

Monoisotopic Mass:

345.224g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

59.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.6