Cas no 90259-39-5 (Benzoic acid, 2-(ethylthio)-6-methyl-)
90259-39-5 structure
Product Name:Benzoic acid, 2-(ethylthio)-6-methyl-
CAS No:90259-39-5
MF:C10H12O2S
MW:196.266081809998
CID:790837
PubChem ID:71429539
Update Time:2025-04-19
Benzoic acid, 2-(ethylthio)-6-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 2-(ethylthio)-6-methyl-
- 2-ethylsulfanyl-6-methylbenzoic acid
- DTXSID90848216
- 2-(Ethylsulfanyl)-6-methylbenzoic acid
- 90259-39-5
-
- Inchi： 1S/C10H12O2S/c1-3-13-8-6-4-5-7(2)9(8)10(11)12/h4-6H,3H2,1-2H3,(H,11,12)
- InChI Key： ZMYQBFZHIFHPIJ-UHFFFAOYSA-N
- SMILES： S(CC)C1=CC=CC(C)=C1C(=O)O
Computed Properties
- Exact Mass: 196.05580079g/mol
- Monoisotopic Mass: 196.05580079g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 182
- 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: 2.6
- Topological Polar Surface Area: 62.6?2
Benzoic acid, 2-(ethylthio)-6-methyl- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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