Cas no 33667-82-2 ( )
structure
Product Name:
CAS No:33667-82-2
MF:C12H9ClS
MW:220.717860937119
CID:918255
PubChem ID:283873
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-chloro-2-phenylsulfanylbenzene
- (2-chlorophenyl) (phenyl) sulfane
- (2-chloro-phenyl)-phenyl sulfide
- (2-Chlor-phenyl)-phenyl-sulfid
- 1-chloro-2-(phenylsulfanyl)benzene
- 1-chloro-2-phenylthiobenzene
- 2-chlorophenyl phenyl sulfide
- 2-chlorophenyl phenyl thioether
- AC1L5ZLC
- AC1Q3RW8
- AG-J-34751
- AR-1C2243
- KTTZERQLFNVLKN-UHFFFAOYSA-
- NSC139120
- SureCN3784489
- InChI=1/C12H9ClS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
- NSC-139120
- 33667-82-2
- DTXSID80300818
- SCHEMBL3784489
- 1-Chloro-2-phenylsulfanyl-benzene
- DS-002799
-
-
- Inchi： 1S/C12H9ClS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H
- InChI Key： KTTZERQLFNVLKN-UHFFFAOYSA-N
- SMILES： ClC1C=CC=CC=1SC1C=CC=CC=1
Computed Properties
- Exact Mass: 220.01147
- Monoisotopic Mass: 220.0113492g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 166
- 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: 4.6
- Topological Polar Surface Area: 25.3?2
Experimental Properties
- PSA: 0
- LogP: 4.49120
Related Literature
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
-
Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
-
Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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