Name: Name:4-AMINO-5-(3,5-DIMETHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
Brand: Angene
SKU: AG00G2RM
Rating: 90 (10 reviews)

4-AMINO-5-(3,5-DIMETHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL

CAS No.:

750624-63-6

Catalog Number:

AG00G2RM

Molecular Formula:

C10H12N4O2S

Molecular Weight:

252.2929

Catalog Number:

AG00G2RM

Chemical Name:

4-AMINO-5-(3,5-DIMETHOXYPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL

CAS Number:

750624-63-6

Molecular Formula:

C10H12N4O2S

Molecular Weight:

252.2929

MDL Number:

MFCD06337047

IUPAC Name:

4-amino-3-(3,5-dimethoxyphenyl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C10H12N4O2S/c1-15-7-3-6(4-8(5-7)16-2)9-12-13-10(17)14(9)11/h3-5H,11H2,1-2H3,(H,13,17)

InChI Key:

FTJYAFXKNKTZIW-UHFFFAOYSA-N

SMILES:

COc1cc(cc(c1)OC)c1nnc(n1N)S

Complexity:

324

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

252.068g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

252.292g/mol

Monoisotopic Mass:

252.068g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

104A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8