2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide supplier

Name
2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE
EINECS
CAS No. 4815-28-5
Article Data38
CAS DataBase
Density 1.337 g/cm³
Solubility
Melting Point
Formula C₉H₁₂N₂OS
Boiling Point 332.5 °C at 760 mmHg
Molecular Weight 196.273
Flash Point 154.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Amino-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide;NSC 153313;
PSA 97.35000
LogP 2.58950

2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Specification

This chemical is called 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide, and it can also be named as Benzo[b]thiophene-3-carboxamide, 2-amino-4,5,6,7-tetrahydro-. With the molecular formula of C₉H₁₂N₂OS, its molecular weight is 196.27. The CAS registry number of this chemical is 4815-28-5. Additionally, its product categories are Sulphur Derivatives.

Other characteristics of the 2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide can be summarised as followings: (1)ACD/LogP: 1.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.57; (4)ACD/LogD (pH 7.4): 2.57; (5)ACD/BCF (pH 5.5): 52.62; (6)ACD/BCF (pH 7.4): 52.62; (7)ACD/KOC (pH 5.5): 593.74; (8)ACD/KOC (pH 7.4): 593.8; (9)#H bond acceptors: 3; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 51.79 Å²; (13)Index of Refraction: 1.666; (14)Molar Refractivity: 54.58 cm³; (15)Molar Volume: 146.7 cm³; (16)Polarizability: 21.64×10^-24cm³; (17)Surface Tension: 65.2 dyne/cm; (18)Density: 1.337 g/cm³; (19)Flash Point: 154.9 °C; (20)Enthalpy of Vaporization: 57.53 kJ/mol; (21)Boiling Point: 332.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000145 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1c2c(sc1N)CCCC2)N
2.InChI: InChI=1/C9H12N2OS/c10-8(12)7-5-3-1-2-4-6(5)13-9(7)11/h1-4,11H2,(H2,10,12)
3.InChIKey: FFAKFORHXDNYEN-UHFFFAOYAO

Product Name

2-AMINO-4,5,6,7-TETRAHYDRO-1-BENZOTHIOPHENE-3-CARBOXAMIDE

2-Amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide Specification

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