Name: Name:4-Amino-5-(2-methyl-3-furyl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019J1H
Rating: 90 (10 reviews)

4-Amino-5-(2-methyl-3-furyl)-4H-1,2,4-triazole-3-thiol

CAS No.:

560998-03-0

Catalog Number:

AG019J1H

Molecular Formula:

C7H8N4OS

Molecular Weight:

196.2296

Catalog Number:

AG019J1H

Chemical Name:

4-Amino-5-(2-methyl-3-furyl)-4H-1,2,4-triazole-3-thiol

CAS Number:

560998-03-0

Molecular Formula:

C7H8N4OS

Molecular Weight:

196.2296

MDL Number:

MFCD04608597

IUPAC Name:

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

InChI:

InChI=1S/C7H8N4OS/c1-4-5(2-3-12-4)6-9-10-7(13)11(6)8/h2-3H,8H2,1H3,(H,10,13)

InChI Key:

BEVJTYQGSOGDTA-UHFFFAOYSA-N

SMILES:

Cc1occc1c1nnc(n1N)S

Complexity:

267

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

196.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

196.228g/mol

Monoisotopic Mass:

196.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

98.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4