Cas no 72896-34-5 (9H-Thioxanthen-9-one,chloro-)
9H-Thioxanthen-9-one,chloro- structure
Product Name:9H-Thioxanthen-9-one,chloro-
CAS No:72896-34-5
MF:C13H9ClOS
MW:248.727961301804
CID:551069
PubChem ID:53471234
Update Time:2025-04-19
9H-Thioxanthen-9-one,chloro- Chemical and Physical Properties
Names and Identifiers
-
- 9H-Thioxanthen-9-one,chloro-
- Chlorothioxanthone
- 1-chloro-9H-thioxanthene 10-oxide
- 1-Chloro-10lambda~4~-thioxanthen-10(9H)-one
- SCHEMBL151908
- 72896-34-5
- DTXSID20703602
-
- Inchi： 1S/C13H9ClOS/c14-11-5-3-7-13-10(11)8-9-4-1-2-6-12(9)16(13)15/h1-7H,8H2
- InChI Key： OMMFNODUFQMUDP-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC2=C1CC1C=CC=CC=1S2=O
Computed Properties
- Exact Mass: 245.99071
- Monoisotopic Mass: 248.006
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 294
- 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
- Topological Polar Surface Area: 36.3A^2
- XLogP3: 3.3
Experimental Properties
- PSA: 17.07
9H-Thioxanthen-9-one,chloro- Related Literature
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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