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CAS No.: | 21010-06-0 |
---|---|
Name: | 5-(2-THIENYL)PENTANOIC ACID |
Molecular Structure: | |
Formula: | C9H12O2S |
Molecular Weight: | 184.259 |
Synonyms: | 5-thiophen-2-ylpentanoic acid;5-(2-Thienyl)valeric acid; |
Density: | 1.182 g/cm3 |
Melting Point: | 41-44 °C |
Boiling Point: | 336.8 °C at 760mm Hg |
Flash Point: | 157.5 °C |
Appearance: | Brown powder |
Hazard Symbols: | R36/37/38:Irritating to eyes, respiratory system and skin.; |
Risk Codes: | 36/37/38 |
Safety: | 26-36 |
PSA: | 65.54000 |
LogP: | 2.54550 |
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The 2-Thiophenepentanoic acid, also known as 5-(2-Thienyl)valeric acid, is the organic compound with the formula C9H12O2S. With the CAS registry number 21010-06-0, its IUPAC name is 5-thiophen-2-ylpentanoic acid. The substance should be sealed and stored in cool and dry place.
Physical properties of 2-Thiophenepentanoic acid: (1)XLogP3-AA: 2.1; (2)H-Bond Donor: 1; (3)H-Bond Acceptor: 2; (4)Rotatable Bond Count: 5; (5)Exact Mass: 184.0558; (6)MonoIsotopic Mass: 184.0558; (7)Topological Polar Surface Area: 65.5; (8)Heavy Atom Count: 12; (9)Formal Charge: 0; (10)Complexity: 148; (11)Isotope Atom Count: 0; (12)Covalently-Bonded Unit Count: 1.
Uses of 2-Thiophenepentanoic acid: it can be used to produce 5-[2]thienyl-valeric acid methyl ester. This reaction will need reagent hydrogen chloride.
When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CSC(=C1)CCCCC(=O)O
(2)InChI: InChI=1S/C9H12O2S/c10-9(11)6-2-1-4-8-5-3-7-12-8/h3,5,7H,1-2,4,6H2,(H,10,11)
(3)InChIKey: OQFTZRHAQGXEQU-UHFFFAOYSA-N