Thieno[2,3-c]pyridine-3-carbonitrile,2-amino-4,5,6,7-tetrahydro-6-(1-methylethyl)- supplier

Name
2-AMINO-6-ISOPROPYL-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE-3-CARBONITRILE
EINECS
CAS No. 26830-40-0
Article Data2
CAS DataBase
Density 1.23 g/cm³
Solubility
Melting Point 178-180 ºC
Formula C₁₁H₁₅N₃S
Boiling Point 401.5 °C at 760 mmHg
Molecular Weight 221.32
Flash Point 196.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Thieno[2,3-c]pyridine-3-carbonitrile,2-amino-4,5,6,7-tetrahydro-6-isopropyl- (8CI);2-Amino-6-isopropyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile;Thieno[2,3-c]pyridine-3-carbonitrile, 4,5,6,7-tetrahydro-2-amino-6-isopropyl-;
PSA 81.29000
LogP 2.48758

Thieno[2,3-c]pyridine-3-carbonitrile,2-amino-4,5,6,7-tetrahydro-6-(1-methylethyl)- Specification

The Thieno[2,3-c]pyridine-3-carbonitrile,2-amino-4,5,6,7-tetrahydro-6-(1-methylethyl)-, with the CAS registry number 26830-40-0, is also known as 2-Amino-6-(methylethyl)-4,5,6,7-tetrahydrothiopheno[2,3-c]pyridine-3-carbonitrile. This chemical's molecular formula is C₁₁H₁₅N₃S and molecular weight is 221.32. What's more, its systematic name is 2-amino-6-(propan-2-yl)-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carbonitrile. It is irritant.

Physical properties of Thieno[2,3-c]pyridine-3-carbonitrile,2-amino-4,5,6,7-tetrahydro-6-(1-methylethyl)- are: (1)ACD/LogP: 1.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.79; (4)ACD/LogD (pH 7.4): 0.89; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1.7; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 27.9; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 58.51 Å²; (13)Index of Refraction: 1.614; (14)Molar Refractivity: 62.66 cm³; (15)Molar Volume: 179.7 cm³; (16)Surface Tension: 58.6 dyne/cm; (17)Density: 1.23 g/cm³; (18)Flash Point: 196.6 °C; (19)Enthalpy of Vaporization: 65.25 kJ/mol; (20)Boiling Point: 401.5 °C at 760 mmHg; (21)Vapour Pressure: 1.18E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N#Cc1c2c(sc1N)CN(CC2)C(C)C
(2)InChI: InChI=1S/C11H15N3S/c1-7(2)14-4-3-8-9(5-12)11(13)15-10(8)6-14/h7H,3-4,6,13H2,1-2H3
(3)InChIKey: GRVDEWDYQKUPSB-UHFFFAOYSA-N

Product Name

2-AMINO-6-ISOPROPYL-4,5,6,7-TETRAHYDROTHIENO[2,3-C]PYRIDINE-3-CARBONITRILE

Thieno[2,3-c]pyridine-3-carbonitrile,2-amino-4,5,6,7-tetrahydro-6-(1-methylethyl)- Specification

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