Cas no 31499-70-4 (3,4,5-trithiaoctane)
3,4,5-trithiaoctane structure
Product Name:3,4,5-trithiaoctane
CAS No:31499-70-4
MF:C5H12S3
MW:168.343777656555
CID:916542
Update Time:2026-04-29
3,4,5-trithiaoctane Chemical and Physical Properties
Names and Identifiers
-
- 3,4,5-trithiaoctane
- 1-(ethyltrisulfanyl)propane
- FEMA No. 4042,ethyl propyl
- Trisulfide,ethyl propyl
- UNII-4SOS6O9G2X
-
- Inchi： InChI=1S/C5H12S3/c1-3-5-7-8-6-4-2/h3-5H2,1-2H3
- InChI Key： SHEIYCJSZOMHMI-UHFFFAOYSA-N
- SMILES： CCCSSSCC
Computed Properties
- Exact Mass: 168.01000
- Monoisotopic Mass: 168.01
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- 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
- Topological Polar Surface Area: 75.9A^2
Experimental Properties
- Density: 1.1
- Boiling Point: 238.8°C at 760 mmHg
- Flash Point: 96.7°C
- Refractive Index: 1.556
- PSA: 75.90000
- LogP: 3.44590
- FEMA: 4042 | ETHYL PROPYL TRISULFIDE
3,4,5-trithiaoctane Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
31499-70-4 (3,4,5-trithiaoctane) Related Products
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- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
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