Cas no 31936-99-9 (3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)-)
31936-99-9 structure
Product Name:3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)-
CAS No:31936-99-9
MF:C10H8O2S2
MW:224.299320220947
CID:320879
PubChem ID:315642
Update Time:2025-04-19
3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)-
- 2-(thiophen-3-ylmethyl)thiophene-3-carboxylic acid
- 2-((thiophen-3-yl)methyl)thiophene-3-carboxylic acid
- 2,3'-Dithienylmethan-3-carbonaeure
- 2-thiophen-3-ylmethyl-thiophene-3-carboxylic acid
- AC1L7S4P
- CTK1C6128
- NSC241140
- SureCN4428275
- DTXSID50311315
- 31936-99-9
- NSC-241140
- SCHEMBL4428275
-
- Inchi： 1S/C10H8O2S2/c11-10(12)8-2-4-14-9(8)5-7-1-3-13-6-7/h1-4,6H,5H2,(H,11,12)
- InChI Key： WFWBMALCUUREHE-UHFFFAOYSA-N
- SMILES： S1C=CC(C(=O)O)=C1CC1=CSC=C1
Computed Properties
- Exact Mass: 223.99664
- Monoisotopic Mass: 223.997
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 220
- 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: 2.8
- Topological Polar Surface Area: 93.8?2
Experimental Properties
- Density: 1.399
- Boiling Point: 379.4°Cat760mmHg
- Flash Point: 183.2°C
- Refractive Index: 1.661
- PSA: 37.3
- LogP: 3.09860
3-Thiophenecarboxylicacid, 2-(3-thienylmethyl)- Related Literature
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Xiaotong Feng,Lei Bian,Jie Ma,Lei Zhou,Xiayan Wang,Guangsheng Guo,Qiaosheng Pu Chem. Commun., 2019,55, 3963-3966
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Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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4. 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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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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