3-(2-Furyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine - CAS 881041-00-5

Name: 3-(2-Furyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB048424
Product Name:	3-(2-Furyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine
CAS:	881041-00-5
Synonyms:	3-(Furan-2-yl)-5-(methylthio)-4H-1,2,4-triazol-4-amine; 3-(furan-2-yl)-5-(methylsulfanyl)-4H-1,2,4-triazol-4-amine; 3-(2-furyl)-5-methylthio-1,2,4-triazole-4-ylamine; 3-(2-furyl)-5-(methylsulfanyl)-4h-1,2,4-triazol-4-amine

Technical Data

IUPAC Name:	3-(furan-2-yl)-5-methylsulfanyl-1,2,4-triazol-4-amine
Description:	3-(2-Furyl)-5-(methylthio)-4H-1,2,4-triazol-4-amine (CAS# 881041-00-5 ) is a useful research chemical.
Molecular Weight:	196.23
Molecular Formula:	C7H8N4OS
Canonical SMILES:	CSC1=NN=C(N1N)C2=CC=CO2
InChI:	InChI=1S/C7H8N4OS/c1-13-7-10-9-6(11(7)8)5-3-2-4-12-5/h2-4H,8H2,1H3
InChI Key:	COVMNJKTCSHTIX-UHFFFAOYSA-N
Boiling Point:	426.6±37.0 °C (Predicted)
Purity:	≥ 95 %
Density:	1.56±0.1 g/cm³ (Predicted)

Complexity:	182
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	196.04188206
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	196.04188206
Rotatable Bond Count:	2
Topological Polar Surface Area:	95.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.8