Cas no 88126-82-3 (2-Butenedioic acid, 2,3-dithiocyanato-, dimethyl ester, (E)-)
88126-82-3 structure
Product Name:2-Butenedioic acid, 2,3-dithiocyanato-, dimethyl ester, (E)-
CAS No:88126-82-3
MF:C8H6N2O4S2
MW:258.274239063263
CID:644131
PubChem ID:71410662
Update Time:2025-04-19
2-Butenedioic acid, 2,3-dithiocyanato-, dimethyl ester, (E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid, 2,3-dithiocyanato-, dimethyl ester, (E)-
- dimethyl 2,3-dithiocyanatobut-2-enedioate
- DTXSID80830327
- Dimethyl 2,3-bis(thiocyanato)but-2-enedioate
- 88126-82-3
-
- Inchi： 1S/C8H6N2O4S2/c1-13-7(11)5(15-3-9)6(16-4-10)8(12)14-2/h1-2H3
- InChI Key： HTDCRMBBNXIFQN-UHFFFAOYSA-N
- SMILES： S(C#N)C(C(=O)OC)=C(C(=O)OC)SC#N
Computed Properties
- Exact Mass: 257.97689902g/mol
- Monoisotopic Mass: 257.97689902g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 386
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: 1.8
- Topological Polar Surface Area: 151?2
2-Butenedioic acid, 2,3-dithiocyanato-, dimethyl ester, (E)- Related Literature
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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