Cas no 142979-68-8 (Carbamodithioicacid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinylester (9CI))
142979-68-8 structure
Product Name:Carbamodithioicacid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinylester (9CI)
CAS No:142979-68-8
MF:C18H16N2OS4
MW:404.592438697815
CID:237075
PubChem ID:3037359
Update Time:2025-04-19
Carbamodithioicacid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinylester (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamodithioicacid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinylester (9CI)
- [3-(4-methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl] N-(4-methylphenyl)carbamodithioate
- 3-(4-Methylphenyl)-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl (4-methylphenyl)carbamodithioate
- 142979-68-8
- Carbamodithioic acid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinyl ester
- DTXSID40931703
-
- Inchi： 1S/C18H16N2OS4/c1-11-3-7-13(8-4-11)19-17(22)24-16-15(21)20(18(23)25-16)14-9-5-12(2)6-10-14/h3-10,16H,1-2H3,(H,19,22)
- InChI Key： NXTJSLCOKVOENX-UHFFFAOYSA-N
- SMILES： S1C(N(C(C1SC(NC1C=CC(C)=CC=1)=S)=O)C1C=CC(C)=CC=1)=S
Computed Properties
- Exact Mass: 404.01478
- Monoisotopic Mass: 404.014546
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 25
- Rotatable Bond Count: 4
- Complexity: 525
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 147
- XLogP3: 5.7
Experimental Properties
- Density: 1.45
- Boiling Point: 565.5°Cat760mmHg
- Flash Point: 295.8°C
- Refractive Index: 1.764
- PSA: 32.34
Carbamodithioicacid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinylester (9CI) Related Literature
-
Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
-
Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
-
Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
142979-68-8 (Carbamodithioicacid, (4-methylphenyl)-, 3-(4-methylphenyl)-4-oxo-2-thioxo-5-thiazolidinylester (9CI)) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 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)
- 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
Zhengzhou Baoyu Pharmaceutical Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Zhejiang Brunova Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Bulk
Shanghai Bent Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
鉅瀾化工科技(青島)有限公司
Gold Member
Audited Supplier
CN Supplier
Bulk
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
