Cas no 58472-47-2 (Benzene, 1-(chloromethyl)-4-(methylsulfinyl)-)
58472-47-2 structure
Product Name:Benzene, 1-(chloromethyl)-4-(methylsulfinyl)-
CAS No:58472-47-2
MF:C8H9ClOS
MW:188.674460172653
CID:341962
PubChem ID:13969650
Update Time:2025-04-19
Benzene, 1-(chloromethyl)-4-(methylsulfinyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1-(chloromethyl)-4-(methylsulfinyl)-
- 1-(chloromethyl)-4-(methylsulfinyl)Benzene
- 1-(chloromethyl)-4-methylsulfinylbenzene
- FT-0704312
- SCHEMBL2851830
- p-methylsulfinylbenzyl chloride
- 1-Chloromethyl-4-methanesulfinylbenzene
- IRJGKBJLGZJJEL-UHFFFAOYSA-N
- DTXSID00553460
- 58472-47-2
- 1-(Chloromethyl)-4-(methanesulfinyl)benzene
-
- Inchi： 1S/C8H9ClOS/c1-11(10)8-4-2-7(6-9)3-5-8/h2-5H,6H2,1H3
- InChI Key： IRJGKBJLGZJJEL-UHFFFAOYSA-N
- SMILES： ClCC1C=CC(=CC=1)S(C)=O
Computed Properties
- Exact Mass: 188.00637
- Monoisotopic Mass: 188.0062638g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 141
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 36.3?2
Experimental Properties
- PSA: 17.07
Benzene, 1-(chloromethyl)-4-(methylsulfinyl)- Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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