Cas no 142979-66-6 (Carbamodithioic acid,(4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester (9CI))
142979-66-6 structure
Product Name:Carbamodithioic acid,(4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester (9CI)
CAS No:142979-66-6
MF:C17H14N2OS4
MW:390.565858364105
CID:206899
PubChem ID:3037357
Update Time:2025-04-19
Carbamodithioic acid,(4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester (9CI) Chemical and Physical Properties
Names and Identifiers
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- Carbamodithioic acid,(4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester (9CI)
- (4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-yl) N-(4-methylphenyl)carbamodithioate
- DTXSID20931701
- Carbamodithioic acid, (4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester
- 4-Oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-yl (4-methylphenyl)carbamodithioate
- 142979-66-6
-
- Inchi： 1S/C17H14N2OS4/c1-11-7-9-12(10-8-11)18-16(21)23-15-14(20)19(17(22)24-15)13-5-3-2-4-6-13/h2-10,15H,1H3,(H,18,21)
- InChI Key： CATDXHPAOIVIJF-UHFFFAOYSA-N
- SMILES： S1C(N(C2C=CC=CC=2)C(C1SC(NC1C=CC(C)=CC=1)=S)=O)=S
Computed Properties
- Exact Mass: 389.99912
- Monoisotopic Mass: 389.998896
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 24
- Rotatable Bond Count: 4
- Complexity: 499
- 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: 5.3
Experimental Properties
- Density: 1.48
- Boiling Point: 542.6°Cat760mmHg
- Flash Point: 281.9°C
- Refractive Index: 1.782
- PSA: 32.34
Carbamodithioic acid,(4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester (9CI) Related Literature
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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Ruili Liu,Mengping Gao,Jing Zhang,Zhilian Li,Jinyang Chen,Ping Liu,Dongqing Wu RSC Adv., 2015,5, 24205-24209
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Huifang Yang,Haoran Guo,Peidong Fan,Xinpan Li,Wenlu Ren,Rui Song Nanoscale, 2020,12, 7024-7034
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
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