Cas no 69276-93-3 ( )
structure
Product Name:
CAS No:69276-93-3
MF:C10H15N3O2S
MW:241.310000658035
CID:973390
PubChem ID:5982071
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
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- N-(dimethylamino)-N'-(4-methylphenyl)sulfonylmethanimidamide
- DTXSID50421625
- 69276-93-3
- NSC-316172
- NSC316172
-
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- Inchi： 1S/C10H15N3O2S/c1-9-4-6-10(7-5-9)16(14,15)12-8-11-13(2)3/h4-8H,1-3H3,(H,11,12)
- InChI Key： JENFRKZYOSVMCQ-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(/N=C/NN(C)C)(=O)=O
Computed Properties
- Exact Mass: 241.08865
- Monoisotopic Mass: 241.08849790g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 325
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.6
- Topological Polar Surface Area: 70.2?2
Experimental Properties
- PSA: 61.77
Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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