Cas no 65662-89-7 (Benzene, 1,2-dichloro-4-(phenylthio)-)
65662-89-7 structure
Product Name:Benzene, 1,2-dichloro-4-(phenylthio)-
CAS No:65662-89-7
MF:C12H8Cl2S
MW:255.162919998169
MDL:MFCD31923702
CID:397731
PubChem ID:12386986
Update Time:2025-04-19
Benzene, 1,2-dichloro-4-(phenylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 1,2-dichloro-4-(phenylthio)-
- 1,2-dichloro-4-phenylsulfanylbenzene
- 1,2-Dichloro-4-(phenylsulfanyl)benzene
- DTXSID40495799
- 65662-89-7
-
- MDL: MFCD31923702
- Inchi: 1S/C12H8Cl2S/c13-11-7-6-10(8-12(11)14)15-9-4-2-1-3-5-9/h1-8H
- InChI Key: ICFXDHJWYDQGQN-UHFFFAOYSA-N
- SMILES: ClC1=C(C=CC(=C1)SC1C=CC=CC=1)Cl
Computed Properties
- Exact Mass: 253.97254
- Monoisotopic Mass: 253.9723768g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 192
- 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: 5.5
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- PSA: 0
Benzene, 1,2-dichloro-4-(phenylthio)- Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Jing Chen,Yu Shao,Danzhen Li J. Mater. Chem. A, 2017,5, 937-941
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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