5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol

Base Information

• Chemical Name: 5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol
• CAS No.: 89601-20-7
• Molecular Formula: C6H10N2S3
• Molecular Weight: 206.35200
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID90377697
• Wikidata: Q82167012
• ChEMBL ID: CHEMBL1459627
• Mol file: 89601-20-7.mol

Synonyms:5-(isobutylthio)-1,3,4-thiadiazole-2-thiol;89601-20-7;5-(2-methylpropylsulfanyl)-3H-1,3,4-thiadiazole-2-thione;5-Isobutylthio-1,3,4-thiadiazole-2-thiol;MLS000771946;5-[(2-methylpropyl)sulfanyl]-1,3,4-thiadiazole-2-thiol;SMR000376553;HMS2669P14;CHEMBL1459627;SCHEMBL10843468;BDBM80242;cid_2769371;DTXSID90377697;AKOS030530804;CS-0356097;FT-0620524;EN300-10983;5-(isobutylthio)-3H-1,3,4-thiadiazole-2-thione;Z90667606;5-(2-methylpropylthio)-3H-1,3,4-thiadiazole-2-thione;5-[(2-Methylpropyl)sulfanyl]-1,3,4-thiadiazole-2(3H)-thione

Chemical Property of 5-(Isobutylthio)-1,3,4-thiadiazole-2-thiol

Chemical Property:

• Vapor Pressure: 0.0035mmHg at 25°C
• Boiling Point: 281.7oC at 760 mmHg
• Flash Point: 124.2oC
• PSA: 118.12000
• Density: 1.41g/cm3
• LogP: 2.57490
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 206.00061185
• Heavy Atom Count: 11
• Complexity: 188

Purity/Quality:

98%Min ^*data from raw suppliers

5-(ISOBUTYLTHIO)-1,3,4-THIADIAZOLE-2-THIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CSC1=NNC(=S)S1