Cas no 54481-26-4 (Benzoic acid,2,2'-dithiobis-, diethyl ester)
54481-26-4 structure
Product Name:Benzoic acid,2,2'-dithiobis-, diethyl ester
CAS No:54481-26-4
MF:C18H18O4S2
MW:362.463122844696
CID:368315
PubChem ID:6453012
Update Time:2025-04-19
Benzoic acid,2,2'-dithiobis-, diethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,2,2'-dithiobis-, diethyl ester
- diethyl 2,2'-dithiobisbenzoate
- ethyl 2-[(2-ethoxycarbonylphenyl)disulfanyl]benzoate
- diethyl 2,2'-disulfanediyldibenzoate
- EINECS 259-181-1
- DTXSID60202886
- 54481-26-4
- SCHEMBL944028
- NS00033098
-
- Inchi： 1S/C18H18O4S2/c1-3-21-17(19)13-9-5-7-11-15(13)23-24-16-12-8-6-10-14(16)18(20)22-4-2/h5-12H,3-4H2,1-2H3
- InChI Key： RUOMYSSJJNEDSR-UHFFFAOYSA-N
- SMILES： S(C1C=CC=CC=1C(=O)OCC)SC1C=CC=CC=1C(=O)OCC
Computed Properties
- Exact Mass: 362.06474
- Monoisotopic Mass: 362.06465
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 24
- Rotatable Bond Count: 9
- Complexity: 378
- 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: 4.6
- Topological Polar Surface Area: 103
Experimental Properties
- Density: 1.28
- Boiling Point: 467.1°C at 760 mmHg
- Flash Point: 224.8°C
- Refractive Index: 1.62
- PSA: 52.6
Benzoic acid,2,2'-dithiobis-, diethyl ester Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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