Cas no 39248-77-6 (Benzenecarbothioic acid, 2,4,6-trimethyl-, S-methyl ester)
39248-77-6 structure
Product Name:Benzenecarbothioic acid, 2,4,6-trimethyl-, S-methyl ester
CAS No:39248-77-6
MF:C11H14OS
MW:194.293262004852
CID:1510369
PubChem ID:12375461
Update Time:2025-04-21
Benzenecarbothioic acid, 2,4,6-trimethyl-, S-methyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarbothioic acid, 2,4,6-trimethyl-, S-methyl ester
- S-methyl 2,4,6-trimethylbenzenecarbothioate
- 39248-77-6
- DTXSID90495067
- S-Methyl 2,4,6-trimethylbenzene-1-carbothioate
-
- Inchi： 1S/C11H14OS/c1-7-5-8(2)10(9(3)6-7)11(12)13-4/h5-6H,1-4H3
- InChI Key： AVWVNSROYFSVMU-UHFFFAOYSA-N
- SMILES： S(C)C(C1C(C)=CC(C)=CC=1C)=O
Computed Properties
- Exact Mass: 194.07662
- Monoisotopic Mass: 194.07653624g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 179
- 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: 3.4
- Topological Polar Surface Area: 42.4?2
Experimental Properties
- PSA: 17.07
Benzenecarbothioic acid, 2,4,6-trimethyl-, S-methyl ester Related Literature
-
Vanessa dos Santos Pereira Montera,Camila Aparecida Borges Food Funct., 2021,12, 7699-7708
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
-
5. Exclusive enantioselective recognition of glucopyranosides by inherently chiral hemicryptophanes?Olivier Perraud,Alexandre Martinez,Jean-Pierre Dutasta Chem. Commun., 2011,47, 5861-5863
39248-77-6 (Benzenecarbothioic acid, 2,4,6-trimethyl-, S-methyl ester) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Shenzhen GeneSeqTools Bioscience & Technology Co. Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Jiangsu Kolod Food Ingredients Co.,ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
