Cas no 106920-26-7 (1,3-Dithiol-2-one, 4,5-bis(octylthio)-)
106920-26-7 structure
Product Name:1,3-Dithiol-2-one, 4,5-bis(octylthio)-
CAS No:106920-26-7
MF:C19H34OS4
MW:406.732660770416
CID:3581604
PubChem ID:13609880
Update Time:2025-04-22
1,3-Dithiol-2-one, 4,5-bis(octylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Dithiol-2-one, 4,5-bis(octylthio)-
- DTXSID201289425
- 4,5-Bis(octylthio)-1,3-dithiol-2-one
- 106920-26-7
-
- Inchi： 1S/C19H34OS4/c1-3-5-7-9-11-13-15-21-17-18(24-19(20)23-17)22-16-14-12-10-8-6-4-2/h3-16H2,1-2H3
- InChI Key： RKOIGVDBKZOKRW-UHFFFAOYSA-N
- SMILES： S(C1=C(SC(=O)S1)SCCCCCCCC)CCCCCCCC
Computed Properties
- Exact Mass: 406.14925040Da
- Monoisotopic Mass: 406.14925040Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 16
- Complexity: 336
- 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: 9.7
- Topological Polar Surface Area: 118?2
1,3-Dithiol-2-one, 4,5-bis(octylthio)- Related Literature
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Wenjie Zhao,Hua Hou,Yuchun Jin,Zhixiang Zeng,Xuedong Wu,Qunji Xue RSC Adv., 2014,4, 60307-60315
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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