2-Thiophenecarboxylicacid, 3-cyano- supplier

Name
3-CYANOTHIOPHENE-2-CARBOXYLIC ACID
EINECS
CAS No. 58231-00-8
Article Data5
CAS DataBase
Density 1.517 g/cm³
Solubility
Melting Point
Formula C₆H₃NO₂S
Boiling Point 367.664 °C at 760 mmHg
Molecular Weight 153.16
Flash Point 176.157 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Cyano-2-thiophenecarboxylicacid;
PSA 89.33000
LogP 1.31798

2-Thiophenecarboxylicacid, 3-cyano- Specification

The 2-Thiophenecarboxylicacid, 3-cyano-, with the CAS registry number of 58231-00-8, is also known as 3-Cyano-2-thiophenecarboxylicacid. This chemical's molecular formula is C₆H₃NO₂S and molecular weight is 153.16. What's more, its systematic name is called 3-Cyanothiophene-2-carboxylic acid.

Physical properties about 2-Thiophenecarboxylicacid, 3-cyano- are: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 89.33 Å²; (11)Index of Refraction: 1.626; (12)Molar Refractivity: 35.737 cm³; (13)Molar Volume: 100.965 cm³; (14)Surface Tension: 76.254 dyne/cm; (15)Density: 1.517 g/cm³; (16)Flash Point: 176.157 °C; (17)Enthalpy of Vaporization: 64.803 kJ/mol; (18)Boiling Point: 367.664 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1sccc1C#N
(2) InChI: InChI=1/C6H3NO2S/c7-3-4-1-2-10-5(4)6(8)9/h1-2H,(H,8,9)
(3) InChIKey: AHKYFPXBUQSQAK-UHFFFAOYAU

Product Name

3-CYANOTHIOPHENE-2-CARBOXYLIC ACID

2-Thiophenecarboxylicacid, 3-cyano- Specification

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