-
Name
METHYL 3-AMINOTHIENO[3,2-B]PYRIDINE-2-CARBOXYLATE
- EINECS
- CAS No. 111042-90-1
- Article Data10
- CAS DataBase
- Density 1.422 g/cm3
- Solubility
- Melting Point 122 °C
- Formula C9H8N2O2S
- Boiling Point 377.553 °C at 760 mmHg
- Molecular Weight 208.241
- Flash Point 182.138 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 3-Aminothieno[3,2-b]pyridine-2-carboxylicacid methyl ester;
- PSA 93.45000
- LogP 2.24630
Methyl 3-aminothieno[3,2-b]pyridine-2-carboxylate Specification
The CAS register number of Methyl 3-aminothieno[3,2-b]pyridine-2-carboxylate is 111042-90-1. It also can be called as Thieno[3,2-b]pyridine-2-carboxylicacid, 3-amino-, methyl ester and the IUPAC name about this chemical is methyl 3-aminothieno[3,2-b]pyridine-2-carboxylate. The molecular formula about this chemical is C9H8N2O2S and the molecular weight is 208.24. It belongs to the following product categories, such as Aminoacid; Chiral Chemicals and so on.
Physical properties about Methyl 3-aminothieno[3,2-b]pyridine-2-carboxylate are: (1)ACD/LogP: 2.67; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 532; (5)ACD/BCF (pH 7.4): 550; (6)ACD/KOC (pH 5.5): 3078; (7)ACD/KOC (pH 7.4): 3185; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 93.45Å2; (12)Index of Refraction: 1.7; (13)Molar Refractivity: 56.58 cm3; (14)Molar Volume: 146.425 cm3; (15)Polarizability: 22.43x10-24cm3; (16)Surface Tension: 67.11 dyne/cm; (17)Enthalpy of Vaporization: 62.534 kJ/mol; (18)Boiling Point: 377.553 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: COC(=O)c2sc1cccnc1c2N
(2)InChI: InChI=1/C9H8N2O2S/c1-13-9(12)8-6(10)7-5(14-8)3-2-4-11-7/h2-4H,10H2,1H3
(3)InChIKey: FFHLOZJKPAWEAX-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C9H8N2O2S/c1-13-9(12)8-6(10)7-5(14-8)3-2-4-11-7/h2-4H,10H2,1H3
(5)Std. InChIKey: FFHLOZJKPAWEAX-UHFFFAOYSA-N
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