Cas no 120047-92-9 (Trisulfide, butylmethyl)
Trisulfide, butylmethyl structure
Product Name:Trisulfide, butylmethyl
CAS No:120047-92-9
MF:C5H12S3
MW:168.343777656555
CID:222151
PubChem ID:189722
Update Time:2025-04-19
Trisulfide, butylmethyl Chemical and Physical Properties
Names and Identifiers
-
- Trisulfide, butylmethyl
- 1-(methyltrisulfanyl)butane
- Butyl methyl trisulfide
- trisulfane, 1-butyl-3-methyl-
- DTXSID10152665
- Butylmethyl trisulfide
- 120047-92-9
- UERQNAZBAUOZKO-UHFFFAOYSA-N
-
- Inchi： 1S/C5H12S3/c1-3-4-5-7-8-6-2/h3-5H2,1-2H3
- InChI Key： UERQNAZBAUOZKO-UHFFFAOYSA-N
- SMILES： S(CCCC)SSC
Computed Properties
- Exact Mass: 168.01026
- Monoisotopic Mass: 168.01
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 5
- Complexity: 38.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.6
- Topological Polar Surface Area: 75.9?2
Experimental Properties
- Density: 1.1
- Boiling Point: 238.8°C at 760 mmHg
- Flash Point: 96.7°C
- Refractive Index: 1.556
- PSA: 0
Trisulfide, butylmethyl Related Literature
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
120047-92-9 (Trisulfide, butylmethyl) Related Products
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