4-allyl-5-(thien-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 4-allyl-5-(thien-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
• CAS No.: 667435-98-5
• Molecular Formula: C10H11N3S2
• Molecular Weight: 237.34
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID00391708
• Wikidata: Q82189364
• Mol file: 667435-98-5.mol

Synonyms:667435-98-5;4-allyl-5-(thien-2-ylmethyl)-4H-1,2,4-triazole-3-thiol;4-prop-2-enyl-3-(thiophen-2-ylmethyl)-1H-1,2,4-triazole-5-thione;4-allyl-5-(2-thienylmethyl)-4H-1,2,4-triazole-3-thiol;4-Allyl-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol;4-(prop-2-en-1-yl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazole-3-thiol;4-(prop-2-en-1-yl)-5-[(thiophen-2-yl)methyl]-4H-1,2,4-triazole-3-thiol;DTXSID00391708;BBL013356;MFCD03900484;STK401150;AKOS000268491;AKOS030242633;VS-03777;CS-0267317;EN300-110623;4-Allyl-5-thiophen-2-ylmethyl-4H-[1,2,4]triazole-3-thiol;4-(Prop-2-en-1-yl)-5-[(thiophen-2-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione

Chemical Property of 4-allyl-5-(thien-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

Chemical Property:

• Vapor Pressure: 0.000131mmHg at 25°C
• Refractive Index: 1.691
• Boiling Point: 334.1°C at 760 mmHg
• PKA: 8.51±0.20(Predicted)
• Flash Point: 155.9°C
• PSA: 97.75000
• Density: 1.32g/cm³
• LogP: 2.40510
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 237.03943971
• Heavy Atom Count: 15
• Complexity: 301

Purity/Quality:

98%min ^*data from raw suppliers

4-Allyl-5-(thien-2-ylmethyl)-4H-1,2,4-triazole-3-thiol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCN1C(=NNC1=S)CC2=CC=CS2