Cas no 149858-94-6 (Benzene, 1,1'-thiobis-,trichloro deriv. (9CI))
149858-94-6 structure
Product Name:Benzene, 1,1'-thiobis-,trichloro deriv. (9CI)
CAS No:149858-94-6
MF:C12H7Cl3S
MW:289.607979059219
CID:219996
PubChem ID:177887
Update Time:2025-04-19
Benzene, 1,1'-thiobis-,trichloro deriv. (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,1'-thiobis-,trichloro deriv. (9CI)
- 1,2,3-trichloro-4-phenylsulfanylbenzene
- DTXSID80164417
- 149858-94-6
- Benzene, 1,1'-thiobis-, trichloro deriv.
- SCHEMBL6730066
-
- Inchi： 1S/C12H7Cl3S/c13-9-6-7-10(12(15)11(9)14)16-8-4-2-1-3-5-8/h1-7H
- InChI Key： KATHYBZZJIQVEB-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C=CC=1SC1C=CC=CC=1)Cl)Cl
Computed Properties
- Exact Mass: 287.93361
- Monoisotopic Mass: 287.933404g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 218
- 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: 5.9
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- PSA: 0
Benzene, 1,1'-thiobis-,trichloro deriv. (9CI) Related Literature
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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