Cas no 31936-90-0 (3-Thiophenecarboxylicacid, 2-(2-thienylmethyl)-)
31936-90-0 structure
Product Name:3-Thiophenecarboxylicacid, 2-(2-thienylmethyl)-
CAS No:31936-90-0
MF:C10H8O2S2
MW:224.299320220947
CID:312129
PubChem ID:288488
Update Time:2025-04-19
3-Thiophenecarboxylicacid, 2-(2-thienylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Thiophenecarboxylicacid, 2-(2-thienylmethyl)-
- 2-(thiophen-2-ylmethyl)thiophene-3-carboxylic acid
- 2-(2-Thienylmethyl)-3-thiophenecarboxylic acid
- 2,2'-Dithienylmethan-3-carbonaeure
- 2-thiophen-2-ylmethyl-thiophene-3-carboxylic acid
- AC1L69O1
- AC1Q5TJL
- AR-1C9913
- CTK1C4081
- NSC149700
- 4J629U26DJ
- NSC 149700
- 3-THIOPHENECARBOXYLIC ACID, 2-(2-THIENYLMETHYL)-
- UNII-4J629U26DJ
- MLS003106291
- DTXSID10185771
- 31936-90-0
- NSC-149700
- 2-(2-thienylmethyl)thiophene-3-carboxylic acid
- CHEMBL2360618
- SMR001821200
-
- Inchi： 1S/C10H8O2S2/c11-10(12)8-3-5-14-9(8)6-7-2-1-4-13-7/h1-5H,6H2,(H,11,12)
- InChI Key： QPKATRSLASRXRU-UHFFFAOYSA-N
- SMILES： S1C=CC(C(=O)O)=C1CC1=CC=CS1
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: 375.5°C at 760 mmHg
- Flash Point: 180.9°C
- Refractive Index: 1.661
- PSA: 37.3
- LogP: 3.09860
3-Thiophenecarboxylicacid, 2-(2-thienylmethyl)- Related Literature
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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5. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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