Cas no 61497-41-4 (Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)-)
61497-41-4 structure
Product Name:Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)-
CAS No:61497-41-4
MF:C13H11NO4S2
MW:309.36074090004
CID:477130
PubChem ID:9279143
Update Time:2025-04-19
Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)-
- 4-methylsulfonyl-2-nitro-1-phenylsulfanylbenzene
- 61497-41-4
- DTXSID50429409
- AKOS008568405
-
- Inchi： 1S/C13H11NO4S2/c1-20(17,18)11-7-8-13(12(9-11)14(15)16)19-10-5-3-2-4-6-10/h2-9H,1H3
- InChI Key： ULALYSKGJBOWOY-UHFFFAOYSA-N
- SMILES： S(C)(C1C=CC(=C(C=1)[N+](=O)[O-])SC1C=CC=CC=1)(=O)=O
Computed Properties
- Exact Mass: 309.01303
- Monoisotopic Mass: 309.01295018g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 20
- Rotatable Bond Count: 3
- Complexity: 434
- 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: 3.3
- Topological Polar Surface Area: 114?2
Experimental Properties
- PSA: 77.28
Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)- Related Literature
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Jason Wan Lab Chip, 2020,20, 4528-4538
61497-41-4 (Benzene, 4-(methylsulfonyl)-2-nitro-1-(phenylthio)-) Related Products
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