Cas no 58841-45-5 (1,2-Benzenediamine, 4-[[2-(methylthio)ethyl]thio]-)
![1,2-Benzenediamine, 4-[[2-(methylthio)ethyl]thio]- structure](https://ossimg.kuujia.com/scimg/59000/58841-45-5x500.png)
58841-45-5 structure
Product Name:1,2-Benzenediamine, 4-[[2-(methylthio)ethyl]thio]-
CAS No:58841-45-5
MF:C9H14N2S2
MW:214.350859165192
CID:340650
PubChem ID:23173913
Update Time:2025-04-19
1,2-Benzenediamine, 4-[[2-(methylthio)ethyl]thio]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediamine, 4-[[2-(methylthio)ethyl]thio]-
- 4-(2-methylsulfanylethylsulfanyl)benzene-1,2-diamine
- DTXSID10631182
- SCHEMBL11835307
- 58841-45-5
- 4-{[2-(METHYLSULFANYL)ETHYL]SULFANYL}BENZENE-1,2-DIAMINE
-
- Inchi： 1S/C9H14N2S2/c1-12-4-5-13-7-2-3-8(10)9(11)6-7/h2-3,6H,4-5,10-11H2,1H3
- InChI Key： ZNVJWSRMTCAFDV-UHFFFAOYSA-N
- SMILES： S(CCSC)C1C=CC(=C(C=1)N)N
Computed Properties
- Exact Mass: 214.06002
- Monoisotopic Mass: 214.05984080g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 144
- 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: 1.8
- Topological Polar Surface Area: 103?2
Experimental Properties
- PSA: 52.04
1,2-Benzenediamine, 4-[[2-(methylthio)ethyl]thio]- Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
58841-45-5 (1,2-Benzenediamine, 4-[[2-(methylthio)ethyl]thio]-) Related Products
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