Cas no 5977-87-7 (Benzenecarbodithioic acid, 4-methyl-, methyl ester)
5977-87-7 structure
Product Name:Benzenecarbodithioic acid, 4-methyl-, methyl ester
Benzenecarbodithioic acid, 4-methyl-, methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarbodithioic acid, 4-methyl-, methyl ester
- methyl 4-methylbenzenecarbodithioate
- SCHEMBL16904643
- Methyl dithio-4-methylbenzoate
- DTXSID70342883
- KKVWORPUZUTZMT-UHFFFAOYSA-N
- 5977-87-7
- Methyl 4-methylbenzenecarbodithioate #
-
- Inchi： 1S/C9H10S2/c1-7-3-5-8(6-4-7)9(10)11-2/h3-6H,1-2H3
- InChI Key： KKVWORPUZUTZMT-UHFFFAOYSA-N
- SMILES： S(C)C(C1C=CC(C)=CC=1)=S
Computed Properties
- Exact Mass: 182.0225
- Monoisotopic Mass: 182.02239267g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 135
- 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: 3.5
- Topological Polar Surface Area: 57.4?2
Experimental Properties
- PSA: 0
Benzenecarbodithioic acid, 4-methyl-, methyl ester Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
5977-87-7 (Benzenecarbodithioic acid, 4-methyl-, methyl ester) Related Products
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