5-n-Butyl bis-thiololactone

Base Information

• Chemical Name: 5-n-Butyl bis-thiololactone
• CAS No.: 129679-47-6
• Molecular Formula: C12H16 O2 S2
• Molecular Weight: 256.38
• DSSTox Substance ID: DTXSID80926456
• Mol file: 129679-47-6.mol

Synonyms:5-n-Butyl bis-thiololactone;129679-47-6;1,4-Ethano-1H,3H-thieno(3,4-c)thiophene-3,6(4H)-dione, dihydro-7-butyl-;DTXSID80926456;C12H16O2S2;C12-H16-O2-S2;LS-67620;7-Butyltetrahydro-3H,6H-1,4-ethanothieno[3,4-c]thiophene-3,6-dione

Chemical Property of 5-n-Butyl bis-thiololactone

Chemical Property:

• Vapor Pressure: 4.13E-08mmHg at 25°C
• Boiling Point: 444.9°Cat760mmHg
• Flash Point: 201.1°C
• PSA: 84.74000
• Density: 1.269g/cm³
• LogP: 2.71290
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 256.05917210
• Heavy Atom Count: 16
• Complexity: 342

Purity/Quality:

1,4-ETHANO-1H,3H-THIENO(3,4-C)THIOPHENE-3,6(4H)-DIONE, DIHYDRO-7-BUTYL- 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1CC2C3C(C1SC3=O)C(=O)S2