Cas no 54029-76-4 (1,2-Benzenediamine, 4-[[(methylthio)methyl]thio]-)
![1,2-Benzenediamine, 4-[[(methylthio)methyl]thio]- structure](https://ossimg.kuujia.com/scimg/54500/54029-76-4x500.png)
54029-76-4 structure
Product Name:1,2-Benzenediamine, 4-[[(methylthio)methyl]thio]-
CAS No:54029-76-4
MF:C8H12N2S2
MW:200.324278831482
CID:355740
PubChem ID:20362843
Update Time:2025-04-19
1,2-Benzenediamine, 4-[[(methylthio)methyl]thio]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediamine, 4-[[(methylthio)methyl]thio]-
- 4-(methylsulfanylmethylsulfanyl)benzene-1,2-diamine
- 4-{[(Methylsulfanyl)methyl]sulfanyl}benzene-1,2-diamine
- DTXSID40606101
- 54029-76-4
- SCHEMBL11632069
-
- Inchi： 1S/C8H12N2S2/c1-11-5-12-6-2-3-7(9)8(10)4-6/h2-4H,5,9-10H2,1H3
- InChI Key： GSCJDDJBNFQKBL-UHFFFAOYSA-N
- SMILES： S(CSC)C1C=CC(=C(C=1)N)N
Computed Properties
- Exact Mass: 200.04436
- Monoisotopic Mass: 200.04419074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 132
- 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: 103?2
Experimental Properties
- PSA: 52.04
1,2-Benzenediamine, 4-[[(methylthio)methyl]thio]- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
54029-76-4 (1,2-Benzenediamine, 4-[[(methylthio)methyl]thio]-) Related Products
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