Cas no 54503-00-3 ( )
structure
Product Name:
CAS No:54503-00-3
MF:C10H18O2S4
MW:298.508718013763
CID:941618
PubChem ID:345160
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- O-butan-2-yl (butan-2-yloxycarbothioyldisulfanyl)methanethioate
- AC1L826M
- Bis-sec-butoxythiocarbonyl-disulfan
- bis-sec-butoxythiocarbonyl-disulfane
- butan-2-yloxy-butan-2-yloxycarbothioyldisulfanyl-methanethione
- CTK1H1321
- Di-isobutyldixanthogen
- NSC402568
- sec-butyl dixanthogen
- DTXSID20322973
- NSC-402568
- CNJZACUYPNOBBL-UHFFFAOYSA-N
- 54503-00-3
-
-
- Inchi： 1S/C10H18O2S4/c1-5-7(3)11-9(13)15-16-10(14)12-8(4)6-2/h7-8H,5-6H2,1-4H3
- InChI Key： CNJZACUYPNOBBL-UHFFFAOYSA-N
- SMILES： S(C(OC(C)CC)=S)SC(OC(C)CC)=S
Computed Properties
- Exact Mass: 298.01914
- Monoisotopic Mass: 298.019
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 9
- Complexity: 209
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 5.1
- Topological Polar Surface Area: 133?2
Experimental Properties
- Density: 1.218
- Boiling Point: 348.2°C at 760 mmHg
- Flash Point: 164.4°C
- Refractive Index: 1.587
- PSA: 18.46
- LogP: 4.56780
Related Literature
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
-
Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
-
Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
-
Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
-
Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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