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

Name
(4-METHYL-4H-THIENO[3,2-B]PYRROL-5-YL)METHANOL
EINECS
CAS No. 121933-59-3
Article Data4
CAS DataBase
Density 1.32 g/cm³
Solubility
Melting Point 103 °C
Formula C₈H₉NOS
Boiling Point 344.8 °C at 760 mmHg
Molecular Weight 167.232
Flash Point 162.3 °C
Transport Information
Appearance
Safety 45
Risk Codes 25
Molecular Structure
Hazard Symbols T
Synonyms (4-Methyl-4H-thieno[3,2-b]pyrrol-5-yl)-methanol;
PSA 53.40000
LogP 1.73210

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

The 4H-Thieno[3,2-b]pyrrole-5-methanol,4-methyl-, with the CAS registry number of 121933-59-3, is also known as (4-Methyl-4H-thieno[3,2-b]pyrrol-5-yl)-methanol. Its molecular formula is C₈H₉NOS and molecular weight is 167.23. What's more, its systematic name is (4-Methyl-4H-thieno[3,2-b]pyrrol-5-yl)methanol.

Physical properties about the 4H-Thieno[3,2-b]pyrrole-5-methanol,4-methyl- are: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.29; (4)ACD/LogD (pH 7.4): 2.29; (5)ACD/BCF (pH 5.5): 32.24; (6)ACD/BCF (pH 7.4): 32.24; (7)ACD/KOC (pH 5.5): 418.1; (8)ACD/KOC (pH 7.4): 418.1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 42.4 Å²; (13)Index of Refraction: 1.664; (14)Molar Refractivity: 46.74 cm³; (15)Molar Volume: 125.8 cm³; (16)Surface Tension: 50.3 dyne/cm; (17)Density: 1.32 g/cm³; (18)Flash Point: 162.3 °C; (19)Enthalpy of Vaporization: 62.14 kJ/mol; (20)Boiling Point: 344.8 °C at 760 mmHg; (21)Vapour Pressure: 2.45E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OCc2cc1sccc1n2C
(2) InChI: InChI=1/C8H9NOS/c1-9-6(5-10)4-8-7(9)2-3-11-8/h2-4,10H,5H2,1H3
(3) InChIKey: ZRWPUHUHJRQLCD-UHFFFAOYAG

Product Name

(4-METHYL-4H-THIENO[3,2-B]PYRROL-5-YL)METHANOL

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

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