2-Thiophenecarboxylicacid, 5-(methylthio)- supplier

Name
5-(METHYLTHIO)THIOPHENE-2-CARBOXYLIC ACID
EINECS
CAS No. 20873-58-9
Article Data5
CAS DataBase
Density 1.43 g/cm³
Solubility
Melting Point 103 °C
Formula C₆H₆O₂S₂
Boiling Point 338.2 °C at 760 mmHg
Molecular Weight 174.24
Flash Point 158.4 °C
Transport Information
Appearance
Safety 26-36/37/39
Risk Codes 36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms 5-(Methylthio)thiophene-2-carboxylicacid;5-Methylsulfanylthiophene-2-carboxylic acid;
PSA 90.84000
LogP 2.16820

2-Thiophenecarboxylicacid, 5-(methylthio)- Specification

The 2-Thiophenecarboxylicacid, 5-(methylthio)-, with the CAS registry number 20873-58-9, is also known as 5-Methylsulfanyl-thiophene-2-carboxylic acid. This chemical's molecular formula is C₆H₆O₂S₂ and molecular weight is 174.24. What's more, its systematic name is called 5-(Methylsulfanyl)thiophene-2-carboxylic acid.

Physical properties about 2-Thiophenecarboxylicacid, 5-(methylthio)- are: (1) ACD/LogP: 2.14; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 0.28; (4) Vapour Pressure: 3.88E-05 mmHg at 25 °C; (5) ACD/BCF (pH 5.5): 1; (6) ACD/BCF (pH 7.4): 1; (7) ACD/KOC (pH 5.5): 4.8; (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: 158.4 °C; (19) Enthalpy of Vaporization: 61.38 kJ/mol; (20) Boiling Point: 338.2 °C at 760 mmHg; (21) Melting Point: 103 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)c1sc(SC)cc1
(2) InChI: InChI=1/C6H6O2S2/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H,7,8)
(3) InChIKey: FWFWUSLBIIIIEN-UHFFFAOYAM

Product Name

5-(METHYLTHIO)THIOPHENE-2-CARBOXYLIC ACID

2-Thiophenecarboxylicacid, 5-(methylthio)- Specification

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