Cas no 81730-18-9 (methyl 3,4,5-trichlorothiophene-2-carboxylate)
81730-18-9 structure
Product Name:methyl 3,4,5-trichlorothiophene-2-carboxylate
CAS No:81730-18-9
MF:C6H3Cl3O2S
MW:245.51081776619
CID:1804630
PubChem ID:611649
Update Time:2025-04-21
methyl 3,4,5-trichlorothiophene-2-carboxylate Chemical and Physical Properties
Names and Identifiers
-
- methyl 3,4,5-trichlorothiophene-2-carboxylate
- 2-Thiophenecarboxylic acid, 3,4,5-trichloro-, methyl ester
- T5SJ BVO1 CG DG EG
- Methyl 3,4,5-trichloro-2-thiophenecarboxylate #
- AJ-292/11894013
- IMJFUYCKEZGHBY-UHFFFAOYSA-N
- AKOS003593412
- Methyl 2,3,4-trichlorothiophene-5-carboxylate
- Methyl 3,4,5-trichloro-2-thiophenecarboxylate
- 81730-18-9
-
- Inchi： 1S/C6H3Cl3O2S/c1-11-6(10)4-2(7)3(8)5(9)12-4/h1H3
- InChI Key： IMJFUYCKEZGHBY-UHFFFAOYSA-N
- SMILES： ClC1C(=C(SC=1C(=O)OC)Cl)Cl
Computed Properties
- Exact Mass: 243.891934g/mol
- Monoisotopic Mass: 243.891934g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 190
- 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
- Topological Polar Surface Area: 54.5?2
methyl 3,4,5-trichlorothiophene-2-carboxylate Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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5. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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