Name: Name:4-(6-methoxypyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG01AAPL
Rating: 90 (10 reviews)

4-(6-methoxypyridin-3-yl)-4H-1,2,4-triazole-3-thiol

CAS No.:

1038337-28-8

Catalog Number:

AG01AAPL

Molecular Formula:

C8H8N4OS

Molecular Weight:

208.2403

Catalog Number:

AG01AAPL

Chemical Name:

4-(6-methoxypyridin-3-yl)-4H-1,2,4-triazole-3-thiol

CAS Number:

1038337-28-8

Molecular Formula:

C8H8N4OS

Molecular Weight:

208.2403

MDL Number:

MFCD11201342

IUPAC Name:

4-(6-methoxypyridin-3-yl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C8H8N4OS/c1-13-7-3-2-6(4-9-7)12-5-10-11-8(12)14/h2-5H,1H3,(H,11,14)

InChI Key:

PHSREVJQINTRFZ-UHFFFAOYSA-N

SMILES:

COc1ccc(cn1)n1cnnc1S

Complexity:

258

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

208.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

208.239g/mol

Monoisotopic Mass:

208.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.8