2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester supplier

Name
2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER
EINECS 224-823-1
CAS No. 108354-78-5
Article Data27
CAS DataBase
Density 1.273 g/cm³
Solubility
Melting Point 128-131 °C
Formula C₁₀H₁₃NO₂S
Boiling Point 398.993 °C at 760 mmHg
Molecular Weight 211.285
Flash Point 195.104 °C
Transport Information
Appearance light yellow solid
Safety
Risk Codes Xi:;
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Amino-3-methoxycarbonyl-3,4,5,6-tetrahydrobenzo[d]thiophene;
PSA 80.56000
LogP 2.57690

2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester Specification

This chemical is called Benzo[b]thiophene-3-carboxylicacid, 2-amino-4,5,6,7-tetrahydro-, methyl ester, and its CAS registry number is CAS registry number 108354-78-5. With the molecular formula of C₁₀H₁₃NO₂S, its molecular weight is 211.28.

Other characteristics of the Benzo[b]thiophene-3-carboxylicacid, 2-amino-4,5,6,7-tetrahydro-, methyl ester can be summarised as followings: (1)ACD/LogP: 3.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.37; (4)ACD/LogD (pH 7.4): 3.37; (5)ACD/BCF (pH 5.5): 213.25; (6)ACD/BCF (pH 7.4): 213.25; (7)ACD/KOC (pH 5.5): 1616.66; (8)ACD/KOC (pH 7.4): 1616.69; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.78 Å²; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 57.43 cm³; (15)Molar Volume: 165.9 cm³; (16)Polarizability: 22.76×10^-24cm³; (17)Surface Tension: 52.8 dyne/cm; (18)Density: 1.273 g/cm³; (19)Flash Point: 195.1 °C; (20)Enthalpy of Vaporization: 64.97 kJ/mol; (21)Boiling Point: 399 °C at 760 mmHg; (22)Vapour Pressure: 1.42E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC)c1c2c(sc1N)CCCC2
2.InChI: InChI=1/C10H13NO2S/c1-13-10(12)8-6-4-2-3-5-7(6)14-9(8)11/h2-5,11H2,1H3
3.InChIKey: DKYYKIHEIOOWRB-UHFFFAOYAX

Product Name

2-AMINO-4,5,6,7-TETRAHYDRO-BENZO[B]THIOPHENE-3-CARBOXYLIC ACID METHYL ESTER

2-Amino-4,5,6,7-tetrahydro-benzo[b]thiophene-3-carboxylic acid methyl ester Specification

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