Cas no 1083-47-2 (1,3,5-Triazine-2,4-diamine,N2-[4-(methylthio)phenyl]-)
![1,3,5-Triazine-2,4-diamine,N2-[4-(methylthio)phenyl]- structure](https://ossimg.kuujia.com/scimg/1500/1083-47-2x500.png)
1083-47-2 structure
Product Name:1,3,5-Triazine-2,4-diamine,N2-[4-(methylthio)phenyl]-
CAS No:1083-47-2
MF:C10H11N5S
MW:233.292839288712
CID:170093
PubChem ID:95131
Update Time:2025-04-19
1,3,5-Triazine-2,4-diamine,N2-[4-(methylthio)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1,3,5-Triazine-2,4-diamine,N2-[4-(methylthio)phenyl]-
- 2-N-(4-methylsulfanylphenyl)-1,3,5-triazine-2,4-diamine
- s-Triazine, 2-amino-4-(p-(methylthio)anilino)-
- 2-Amino-4-(p-(methylthio)anilino)-s-triazine
- BRN 0748881
- N-[4-(methylsulfanyl)phenyl]-1,3,5-triazine-2,4-diamine
- NSC 19741
- NSC-19741
- UNII-B24IF7JB1G
- N2-(4-(METHYLTHIO)PHENYL)-1,3,5-TRIAZINE-2,4-DIAMINE
- 1,3,5-TRIAZINE-2,4-DIAMINE, N-(4-(METHYLTHIO)PHENYL)-
- NSC19741
- 1083-47-2
- 1,3,5-TRIAZINE-2,4-DIAMINE, N2-(4-(METHYLTHIO)PHENYL)-
- DTXSID00148491
- B24IF7JB1G
-
- Inchi： 1S/C10H11N5S/c1-16-8-4-2-7(3-5-8)14-10-13-6-12-9(11)15-10/h2-6H,1H3,(H3,11,12,13,14,15)
- InChI Key： NYYGPLHZTQTSKB-UHFFFAOYSA-N
- SMILES： S(C)C1C=CC(=CC=1)NC1N=CN=C(N)N=1
Computed Properties
- Exact Mass: 233.07373
- Monoisotopic Mass: 233.074
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 16
- Rotatable Bond Count: 3
- Complexity: 207
- 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
- Surface Charge: 0
- Tautomer Count: 9
- XLogP3: 2
- Topological Polar Surface Area: 102?2
Experimental Properties
- Density: 1.37
- Boiling Point: 485°Cat760mmHg
- Flash Point: 247.1°C
- Refractive Index: 1.686
- PSA: 76.72
- LogP: 2.57350
1,3,5-Triazine-2,4-diamine,N2-[4-(methylthio)phenyl]- Related Literature
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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Felix Witte,Philipp Rietsch,Nithiya Nirmalananthan-Budau,Florian Weigert,Jan P. G?tze,Ute Resch-Genger,Siegfried Eigler,Beate Paulus Phys. Chem. Chem. Phys., 2021,23, 17521-17529
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
-
Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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