3-(Ethylsulfanyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-amine - CAS 118158-92-2

Name: 3-(Ethylsulfanyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-amine
Brand: BOC Sciences
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Catalog:	BB048466
Product Name:	3-(Ethylsulfanyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-amine
CAS:	118158-92-2
Synonyms:	3-(ethylthio)-5-(2-thienyl)-4H-1,2,4-triazol-4-amine; 3-(ethylthio)-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-amine; 3-(ethylsulfanyl)-5-(2-thienyl)-4h-1,2,4-triazol-4-amine; 5-ethylthio-3-(2-thienyl)-1,2,4-triazole-4-ylamine; 3-Ethylsulfanyl-5-thiophen-2-yl-[1,2,4]triazol-4-ylamine; 3-(ethylthio)-5-thien-2-yl-4H-1,2,4-triazol-4-amine

Technical Data

IUPAC Name:	3-ethylsulfanyl-5-thiophen-2-yl-1,2,4-triazol-4-amine
Description:	3-(Ethylsulfanyl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-4-amine (CAS# 118158-92-2 ) is a useful research chemical.
Molecular Weight:	226.32
Molecular Formula:	C8H10N4S2
Canonical SMILES:	CCSC1=NN=C(N1N)C2=CC=CS2
InChI:	InChI=1S/C8H10N4S2/c1-2-13-8-11-10-7(12(8)9)6-4-3-5-14-6/h3-5H,2,9H2,1H3
InChI Key:	UWTQTJQKRFIQDP-UHFFFAOYSA-N
Boiling Point:	458.2±37.0 °C (Predicted)
Density:	1.51±0.1 g/cm³ (Predicted)

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	226.03468868
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	226.03468868
Rotatable Bond Count:	3
Topological Polar Surface Area:	110
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8