Cas no 54895-01-1 (Benzene, 1-chloro-4-[1-[(chloromethyl)thio]-1-methylethyl]-)
![Benzene, 1-chloro-4-[1-[(chloromethyl)thio]-1-methylethyl]- structure](https://ossimg.kuujia.com/scimg/55000/54895-01-1x500.png)
54895-01-1 structure
Product Name:Benzene, 1-chloro-4-[1-[(chloromethyl)thio]-1-methylethyl]-
CAS No:54895-01-1
MF:C10H12Cl2S
MW:235.173279762268
CID:353360
PubChem ID:21489053
Update Time:2025-04-19
Benzene, 1-chloro-4-[1-[(chloromethyl)thio]-1-methylethyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-chloro-4-[1-[(chloromethyl)thio]-1-methylethyl]-
- 1-chloro-4-[2-(chloromethylsulfanyl)propan-2-yl]benzene
- 1-Chloro-4-{2-[(chloromethyl)sulfanyl]propan-2-yl}benzene
- chloromethyl p-chloro-alpha,alpha-dimethyl- benzyl sulfide
- DTXSID70614719
- 54895-01-1
- SCHEMBL11786418
- AVJKJQHWTZRJSE-UHFFFAOYSA-N
-
- Inchi： 1S/C10H12Cl2S/c1-10(2,13-7-11)8-3-5-9(12)6-4-8/h3-6H,7H2,1-2H3
- InChI Key： AVJKJQHWTZRJSE-UHFFFAOYSA-N
- SMILES： ClCSC(C)(C)C1C=CC(=CC=1)Cl
Computed Properties
- Exact Mass: 234.00386
- Monoisotopic Mass: 234.0036769g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 151
- 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: 4.3
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- PSA: 0
Benzene, 1-chloro-4-[1-[(chloromethyl)thio]-1-methylethyl]- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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