Cas no 181651-40-1 (Methanesulfinamide, N-(4-methoxyphenyl)-)
181651-40-1 structure
Product Name:Methanesulfinamide, N-(4-methoxyphenyl)-
CAS No:181651-40-1
MF:C8H11NO2S
MW:185.24344086647
CID:1373263
PubChem ID:15254974
Update Time:2025-04-20
Methanesulfinamide, N-(4-methoxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanesulfinamide, N-(4-methoxyphenyl)-
- N-(4-methoxyphenyl)methanesulfinamide
- 181651-40-1
- DTXSID70570523
-
- Inchi： 1S/C8H11NO2S/c1-11-8-5-3-7(4-6-8)9-12(2)10/h3-6,9H,1-2H3
- InChI Key： QIURYQNZQHKZRM-UHFFFAOYSA-N
- SMILES： S(C)(NC1C=CC(=CC=1)OC)=O
Computed Properties
- Exact Mass: 185.05113
- Monoisotopic Mass: 185.05104977g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 155
- 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
- XLogP3: 1.3
- Topological Polar Surface Area: 57.5?2
Experimental Properties
- PSA: 38.33
Methanesulfinamide, N-(4-methoxyphenyl)- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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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
181651-40-1 (Methanesulfinamide, N-(4-methoxyphenyl)-) Related Products
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