Cas no 24852-74-2 (Benzoic acid, 5-methyl-2-(methylthio)-)
24852-74-2 structure
Product Name:Benzoic acid, 5-methyl-2-(methylthio)-
CAS No:24852-74-2
MF:C9H10O2S
MW:182.239501476288
CID:2933045
PubChem ID:21544466
Update Time:2024-03-01
Benzoic acid, 5-methyl-2-(methylthio)- Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 5-methyl-2-(methylthio)-
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- Inchi： 1S/C9H10O2S/c1-6-3-4-8(12-2)7(5-6)9(10)11/h3-5H,1-2H3,(H,10,11)
- InChI Key： SIUNTBOIHBJTAX-UHFFFAOYSA-N
- SMILES： C(O)(=O)C1=CC(C)=CC=C1SC
Computed Properties
- Exact Mass: 182.04015073g/mol
- Monoisotopic Mass: 182.04015073g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 170
- 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: 3.1
- Topological Polar Surface Area: 62.6?2
Benzoic acid, 5-methyl-2-(methylthio)- Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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4. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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