3-Thiophenecarboxylicacid, 2-(methylthio)- supplier

Name
2-(METHYLSULFANYL)THIOPHENE-3-CARBOXYLIC ACID
EINECS
CAS No. 71154-30-8
Article Data2
CAS DataBase
Density 1.43 g/cm³
Solubility
Melting Point
Formula C₆H₆O₂S₂
Boiling Point 311.6 °C at 760 mmHg
Molecular Weight 174.244
Flash Point 142.2 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Methylthio-3-thiophenecarboxylicacid;
PSA 90.84000
LogP 2.16820

3-Thiophenecarboxylicacid, 2-(methylthio)- Specification

The 3-Thiophenecarboxylicacid, 2-(methylthio)-, with the CAS registry number 71154-30-8, is also known as 2-(Methylsulfanyl)-thiophene-3-carboxylic acid. This chemical's molecular formula is C₆H₆O₂S₂ and molecular weight is 174.24. What's more, its systematic name is called 2-(Methylsulfanyl)thiophene-3-carboxylic acid.

Physical properties about 3-Thiophenecarboxylicacid, 2-(methylthio)- are: (1)ACD/LogP: 2.19; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.93; (4)ACD/LogD (pH 7.4): -0.66; (5)ACD/BCF (pH 5.5): 1.49; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 20.35; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 79.84 Å²; (13)Index of Refraction: 1.642; (14)Molar Refractivity: 43.8 cm³; (15)Molar Volume: 121.1 cm³; (16)Surface Tension: 62.9 dyne/cm; (17)Density: 1.43 g/cm³; (18)Flash Point: 142.2 °C; (19)Enthalpy of Vaporization: 58.33 kJ/mol; (20)Boiling Point: 311.6 °C at 760 mmHg; (21)Vapour Pressure: 0.000239 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1ccsc1SC
(2) InChI: InChI=1/C6H6O2S2/c1-9-6-4(5(7)8)2-3-10-6/h2-3H,1H3,(H,7,8)
(3) InChIKey: AABWPIYTBMFEBE-UHFFFAOYAT

Product Name

2-(METHYLSULFANYL)THIOPHENE-3-CARBOXYLIC ACID

3-Thiophenecarboxylicacid, 2-(methylthio)- Specification

Related Products

Hot Products