Cas no 70398-84-4 (Benzene, 1,2-bis[(1-methylethyl)thio]-)
![Benzene, 1,2-bis[(1-methylethyl)thio]- structure](https://ossimg.kuujia.com/scimg/70500/70398-84-4x500.png)
70398-84-4 structure
Product Name:Benzene, 1,2-bis[(1-methylethyl)thio]-
CAS No:70398-84-4
MF:C12H18S2
MW:226.401320934296
CID:547291
PubChem ID:12505024
Update Time:2025-04-19
Benzene, 1,2-bis[(1-methylethyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,2-bis[(1-methylethyl)thio]-
- 1,2-bis(propan-2-ylsulfanyl)benzene
- 1,2-Bis[(propan-2-yl)sulfanyl]benzene
- DTXSID90500685
- 70398-84-4
-
- Inchi： 1S/C12H18S2/c1-9(2)13-11-7-5-6-8-12(11)14-10(3)4/h5-10H,1-4H3
- InChI Key： ZZZRYGDGLBIEBJ-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1SC(C)C)C(C)C
Computed Properties
- Exact Mass: 226.08514
- Monoisotopic Mass: 226.08499292g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 136
- 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: 4.5
- Topological Polar Surface Area: 50.6?2
Experimental Properties
- PSA: 0
Benzene, 1,2-bis[(1-methylethyl)thio]- Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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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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4. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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