-
Name
2,5-DIMETHYLTHIOPHENE-3-CARBOXYLIC ACID
- EINECS
- CAS No. 26421-32-9
- Article Data12
- CAS DataBase
- Density 1.259 g/cm3
- Solubility
- Melting Point 117-118 °C(Solv: ethanol (64-17-5))
- Formula C7H8O2S
- Boiling Point 278.8 °C at 760 mmHg
- Molecular Weight 156.205
- Flash Point 122.4 °C
- Transport Information
- Appearance
- Safety 26
- Risk Codes 36
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms 2,5-Dimethyl-3-thiophenecarboxylicacid;
- PSA 65.54000
- LogP 2.06310
3-Thiophenecarboxylicacid, 2,5-dimethyl- Specification
The 3-Thiophenecarboxylicacid, 2,5-dimethyl-, with the CAS registry number 26421-32-9, is also known as 2,5-Dimethyl-3-thiophenecarboxylic acid. It belongs to the product categories of Carboxylic Acids; Thiophenes & Benzothiophenes; Carboxylic Acids; Thiophenes & Benzothiophenes. This chemical's molecular formula is C7H8O2S and molecular weight is 156.2. What's more, its systematic name is called 2,5-Dimethylthiophene-3-carboxylic acid. This chemicals may cause inflammation to the skin or other mucous membranes.
Physical properties about 3-Thiophenecarboxylicacid, 2,5-dimethyl- are: (1)ACD/LogP: 2.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/BCF (pH 5.5): 5.02; (5)Vapour Pressure: 0.00199 mmHg at 25 °C; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 60.89; (8)ACD/KOC (pH 7.4): 1.22; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 54.54 Å2; (13)Index of Refraction: 1.579; (14)Molar Refractivity: 41.21 cm3; (15)Molar Volume: 123.9 cm3; (16)Surface Tension: 48.8 dyne/cm; (17)Density: 1.259 g/cm3; (18)Flash Point: 122.4 °C; (19)Enthalpy of Vaporization: 54.66 kJ/mol; (20)Boiling Point: 278.8 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1c(sc(c1)C)C
(2) InChI: InChI=1/C7H8O2S/c1-4-3-6(7(8)9)5(2)10-4/h3H,1-2H3,(H,8,9)
(3) InChIKey: XBLLEMNSMZZDRB-UHFFFAOYAD
Related Products
- 3-Thiophenecarboxylicacid, 2-(acetylamino)-4,5-dimethyl-
- 3-Thiophenecarboxylicacid, 2-(methylthio)-
- 3-Thiophenecarboxylicacid, 2,5-dichloro-, methyl ester
- 3-Thiophenecarboxylicacid, 2,5-dimethyl-
- 3-Thiophenecarboxylicacid, 2-[(2-chloroacetyl)amino]-4,5-dimethyl-, ethyl ester
- 3-Thiophenecarboxylicacid, 2-amino-, 1,1-dimethylethyl ester
- 3-Thiophenecarboxylicacid, 2-amino-4-(2-furanyl)-, ethyl ester
- 3-Thiophenecarboxylicacid, 2-amino-4-(4-chlorophenyl)-, ethyl ester
- 3-Thiophenecarboxylicacid, 2-amino-4-(4-fluorophenyl)-, ethyl ester
- 3-Thiophenecarboxylicacid, 2-amino-4-(4-methoxyphenyl)-, ethyl ester
- 26421-44-3
- 26423-00-7
- 2642-37-7
- 26423-78-9
- 26424-07-7
- 2642-63-9
- 264264-33-7
- 2642-71-9
- 264273-06-5
- 2643-07-4
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