Cas no 15979-81-4 (Benzenamine,4-(methylsulfonyl)-N-phenyl-)
15979-81-4 structure
Product Name:Benzenamine,4-(methylsulfonyl)-N-phenyl-
CAS No:15979-81-4
MF:C13H13NO2S
MW:247.3128221035
CID:195015
PubChem ID:27592
Update Time:2025-04-19
Benzenamine,4-(methylsulfonyl)-N-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine,4-(methylsulfonyl)-N-phenyl-
- 4-METHYLSULFONYL-N-PHENYLBENZENAMINE
- 4-methylsulfonyl-N-phenylaniline
- DTXSID50166726
- 15979-81-4
- SCHEMBL3245767
-
- Inchi： 1S/C13H13NO2S/c1-17(15,16)13-9-7-12(8-10-13)14-11-5-3-2-4-6-11/h2-10,14H,1H3
- InChI Key： BKQHFWRWUNOUCR-UHFFFAOYSA-N
- SMILES： S(C)(C1C=CC(=CC=1)NC1C=CC=CC=1)(=O)=O
Computed Properties
- Exact Mass: 247.06679
- Monoisotopic Mass: 247.066699
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 320
- 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: 2
- Topological Polar Surface Area: 54.6
Experimental Properties
- Density: 1.253
- Boiling Point: 449.2°Cat760mmHg
- Flash Point: 225.4°C
- Refractive Index: 1.611
- PSA: 46.17
Benzenamine,4-(methylsulfonyl)-N-phenyl- Related Literature
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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
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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