Cas no 62926-92-5 (Benzene, 1-chloro-4-[[(methylthio)methyl]thio]-)
![Benzene, 1-chloro-4-[[(methylthio)methyl]thio]- structure](https://ossimg.kuujia.com/scimg/63000/62926-92-5x500.png)
62926-92-5 structure
Product Name:Benzene, 1-chloro-4-[[(methylthio)methyl]thio]-
CAS No:62926-92-5
MF:C8H9ClS2
MW:204.740058660507
CID:428699
PubChem ID:12331079
Update Time:2025-04-19
Benzene, 1-chloro-4-[[(methylthio)methyl]thio]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-chloro-4-[[(methylthio)methyl]thio]-
- 1-chloro-4-(methylsulfanylmethylsulfanyl)benzene
- 62926-92-5
- DTXSID90490577
- 1-Chloro-4-{[(methylsulfanyl)methyl]sulfanyl}benzene
-
- Inchi： 1S/C8H9ClS2/c1-10-6-11-8-4-2-7(9)3-5-8/h2-5H,6H2,1H3
- InChI Key： XFXQBIZFRHHOOG-UHFFFAOYSA-N
- SMILES： ClC1C=CC(=CC=1)SCSC
Computed Properties
- Exact Mass: 203.98357
- Monoisotopic Mass: 203.9834203g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 3
- Complexity: 100
- 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: 3.8
- Topological Polar Surface Area: 50.6?2
Experimental Properties
- PSA: 0
Benzene, 1-chloro-4-[[(methylthio)methyl]thio]- Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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2. 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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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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