4H-Thieno[3,2-b]pyrrole-5-carboxylicacid, 4-methyl- supplier

Name
4-METHYL-4H-THIENO[3,2-B]PYRROLE-5-CARBOXYLIC ACID
EINECS
CAS No. 841222-62-6
Density 1.47 g/cm³
Solubility
Melting Point 154 °C
Formula C₈H₇NO₂S
Boiling Point 398.9 °C at 760 mmHg
Molecular Weight 181.215
Flash Point 195 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 22-37/38-41
Molecular Structure
Hazard Symbols Xi
Synonyms 4-Methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid;
PSA 70.47000
LogP 1.93800

4H-Thieno[3,2-b]pyrrole-5-carboxylicacid, 4-methyl- Specification

The 4H-Thieno[3,2-b]pyrrole-5-carboxylicacid, 4-methyl- has the CAS registry number 841222-62-6. This chemical's molecular formula is C₈H₇NO₂S and molecular weight is 181.21. What's more, its systematic name is 4-methyl-4H-thieno[3,2-b]pyrrole-5-carboxylic acid.

Physical properties of 4H-Thieno[3,2-b]pyrrole-5-carboxylicacid, 4-methyl- are: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.49; (4)ACD/BCF (pH 5.5): 3.62; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 34.08; (7)ACD/KOC (pH 7.4): 1.1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 59.47 Å²; (12)Index of Refraction: 1.699; (13)Molar Refractivity: 47.59 cm³; (14)Molar Volume: 123.2 cm³; (15)Polarizability: 18.86×10^-24cm³; (16)Surface Tension: 58.6 dyne/cm; (17)Density: 1.47 g/cm³; (18)Flash Point: 195 °C; (19)Enthalpy of Vaporization: 68.5 kJ/mol; (20)Boiling Point: 398.9 °C at 760 mmHg; (21)Vapour Pressure: 4.45E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)c2cc1sccc1n2C
(2)InChI: InChI=1S/C8H7NO2S/c1-9-5-2-3-12-7(5)4-6(9)8(10)11/h2-4H,1H3,(H,10,11)
(3)InChIKey: TZHAUWSWUZWKLK-UHFFFAOYSA-N

Product Name

4-METHYL-4H-THIENO[3,2-B]PYRROLE-5-CARBOXYLIC ACID

4H-Thieno[3,2-b]pyrrole-5-carboxylicacid, 4-methyl- Specification

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