Cas no 31936-85-3 (3-Thiophenecarboxylicacid, 4-(3-thienylmethyl)-)
31936-85-3 structure
Product Name:3-Thiophenecarboxylicacid, 4-(3-thienylmethyl)-
CAS No:31936-85-3
MF:C10H8O2S2
MW:224.299320220947
CID:323585
PubChem ID:288483
Update Time:2025-04-19
3-Thiophenecarboxylicacid, 4-(3-thienylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Thiophenecarboxylicacid, 4-(3-thienylmethyl)-
- 4-(thiophen-3-ylmethyl)thiophene-3-carboxylic acid
- 3',4-Dithienylmethan-3-carbonaeure
- 4-thiophen-3-ylmethyl-thiophene-3-carboxylic acid
- AC1L69NM
- AC1Q5THO
- AG-J-11586
- AR-1F7293
- CTK1C6665
- NSC149694
- 31936-85-3
- DTXSID00302213
- NSC-149694
- 4-(3-thiophenylmethyl)-3-thiophenecarboxylic acid
- A821186
-
- Inchi： 1S/C10H8O2S2/c11-10(12)9-6-14-5-8(9)3-7-1-2-13-4-7/h1-2,4-6H,3H2,(H,11,12)
- InChI Key： VALRYZNDPFXYFE-UHFFFAOYSA-N
- SMILES： S1C=C(C(=O)O)C(=C1)CC1=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: 2.7
- Topological Polar Surface Area: 93.8?2
Experimental Properties
- Density: 1.399
- Boiling Point: 383.3°Cat760mmHg
- Flash Point: 185.6°C
- Refractive Index: 1.661
- PSA: 37.3
- LogP: 3.09860
3-Thiophenecarboxylicacid, 4-(3-thienylmethyl)- Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Jadwiga Frelek,Marcin Górecki,Marta ?aszcz,Agata Suszczyńska,Elemér Vass,Wojciech J. Szczepek Chem. Commun., 2012,48, 5295-5297
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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