3-Propylsulfanyl-[1,2,4]thiadiazol-5-ylamine

Base Information

• Chemical Name: 3-Propylsulfanyl-[1,2,4]thiadiazol-5-ylamine
• CAS No.: 6913-15-1
• Molecular Formula: C5H9 N3 S2
• Molecular Weight: 175.28
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID30366287
• Wikidata: Q82151423
• ChEMBL ID: CHEMBL1459447
• Mol file: 6913-15-1.mol

Synonyms:6913-15-1;3-Propylsulfanyl-[1,2,4]thiadiazol-5-ylamine;3-(propylsulfanyl)-1,2,4-thiadiazol-5-amine;3-(propylthio)-1,2,4-thiadiazol-5-amine;3-propylsulfanyl-1,2,4-thiadiazol-5-amine;MLS000565156;CHEMBL1459447;SCHEMBL11326800;DTXSID30366287;HMS2437B21;AKOS000116503;SMR000152360;CS-0220203;EN300-06044;Z56928677;F2158-0565;3-(Propylsulfanyl)-1,2,4-thiadiazol-5-amine, AldrichCPR

Chemical Property of 3-Propylsulfanyl-[1,2,4]thiadiazol-5-ylamine

Chemical Property:

• Vapor Pressure: 0.000171mmHg at 25°C
• Melting Point: 73.8 °C
• Boiling Point: 330°C at 760 mmHg
• PKA: 1.79±0.50(Predicted)
• Flash Point: 153.4°C
• PSA: 105.34000
• Density: 1.32g/cm³
• LogP: 2.20360
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 175.02378965
• Heavy Atom Count: 10
• Complexity: 101

Purity/Quality:

98%min ^*data from raw suppliers

3-(propylsulfanyl)-1,2,4-thiadiazol-5-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCSC1=NSC(=N1)N