Cas no 55564-21-1 (1,2-Benzenediamine, 4-(2-pyridinylthio)-)
55564-21-1 structure
Product Name:1,2-Benzenediamine, 4-(2-pyridinylthio)-
CAS No:55564-21-1
MF:C11H11N3S
MW:217.290140390396
CID:351516
PubChem ID:21482793
Update Time:2025-04-19
1,2-Benzenediamine, 4-(2-pyridinylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediamine, 4-(2-pyridinylthio)-
- 4-pyridin-2-ylsulfanylbenzene-1,2-diamine
- DTXSID70614532
- 4-[(Pyridin-2-yl)sulfanyl]benzene-1,2-diamine
- SCHEMBL11725674
- 1,2-diamino-4-(pyrid-2-ylthio)benzene
- PMCCIVNQRSQYHM-UHFFFAOYSA-N
- 55564-21-1
-
- Inchi： 1S/C11H11N3S/c12-9-5-4-8(7-10(9)13)15-11-3-1-2-6-14-11/h1-7H,12-13H2
- InChI Key： PMCCIVNQRSQYHM-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CN=1)C1C=CC(=C(C=1)N)N
Computed Properties
- Exact Mass: 217.06753
- Monoisotopic Mass: 217.06736854g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 200
- 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: 1.9
- Topological Polar Surface Area: 90.2?2
Experimental Properties
- PSA: 64.93
1,2-Benzenediamine, 4-(2-pyridinylthio)- Related Literature
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
55564-21-1 (1,2-Benzenediamine, 4-(2-pyridinylthio)-) Related Products
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