Cas no 584-69-0 (1,3-Benzenedicarbothioicacid, 1,3-diethyl ester)
584-69-0 structure
Product Name:1,3-Benzenedicarbothioicacid, 1,3-diethyl ester
CAS No:584-69-0
MF:C12H14O2S2
MW:254.368360996246
CID:369755
PubChem ID:3083635
Update Time:2025-04-19
1,3-Benzenedicarbothioicacid, 1,3-diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarbothioicacid, 1,3-diethyl ester
- 1-S,3-S-diethyl benzene-1,3-dicarbothioate
- 1,3-dithio-isophthalic acid S,S'-diethyl ester
- 1,3-Dithioisophthalic acid,diethyl ester
- 1,3-Dithio-isophthalsaeure-S,S'-diaethylester
- Ditophal
- Etisul
- Etusil
- Isophthalsaeure-bis-thiolethylester
- UNII-40SR2754GL
- 1,3-Dithioisophthalic acid, diethyl ester
- S,S-diethyl benzene-1,3-bis(carbothioate)
- CHEMBL2104300
- S,S-Diethyl ester of 1,3-dithioisophthalic acid
- Etisul;ICI 15688
- DITOPHAL [INN]
- NS00121181
- 584-69-0
- DTXSID40207112
- Q5283696
- S,S-DIETHYL 1,3-DITHIOISOPHTHALATE
- starbld0000997
- 40SR2754GL
- Ditophal [INN:BAN]
- SCHEMBL2109565
-
- Inchi： 1S/C12H14O2S2/c1-3-15-11(13)9-6-5-7-10(8-9)12(14)16-4-2/h5-8H,3-4H2,1-2H3
- InChI Key： DWGXUDUOJPYAOR-UHFFFAOYSA-N
- SMILES： S(CC)C(C1C=CC=C(C(=O)SCC)C=1)=O
Computed Properties
- Exact Mass: 254.04400
- Monoisotopic Mass: 254.043521
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 229
- 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
- Topological Polar Surface Area: 84.7
- XLogP3: 3.4
Experimental Properties
- Density: 1.191
- Boiling Point: 371.9°C at 760 mmHg
- Flash Point: 157.4°C
- Refractive Index: 1.585
- PSA: 84.74000
- LogP: 3.47320
1,3-Benzenedicarbothioicacid, 1,3-diethyl ester Related Literature
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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