Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta(b)thiophene-3-carboxylate supplier

Name
ETHYL 2-AMINO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE
EINECS
CAS No. 40106-13-6
Article Data55
CAS DataBase
Density 1.195 g/cm³
Solubility
Melting Point 89-90 °C
Formula C₁₂H₁₇NO₂S
Boiling Point 419.4 °C at 760 mmHg
Molecular Weight 239.338
Flash Point 207.5 °C
Transport Information
Appearance yellow-beige crystalline powder
Safety 22
Risk Codes 20/22
Molecular Structure
Hazard Symbols Xn,Xi
Synonyms Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate;Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate (IM OCS);2-Amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester;
PSA 80.56000
LogP 3.35710

Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta(b)thiophene-3-carboxylate Specification

The CAS register number of Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta(b)thiophene-3-carboxylate is 40106-13-6. It also can be called as 2-Amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylic acid ethyl ester and the IUPAC name about this chemical is ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate. The molecular formula about this chemical is C₁₂H₁₇NO₂S and the molecular weight is 239.33. This chemical is harmful by inhalation and if swallowed. When you are using it, please do not breathe dust.

Physical properties about Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta(b)thiophene-3-carboxylate are: (1)ACD/LogP: 4.46; (2)#H bond acceptors: 3; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 57.78Å²; (6)Index of Refraction: 1.58; (7)Molar Refractivity: 66.67 cm³; (8)Molar Volume: 200.1 cm³; (9)Polarizability: 26.43x10^-24cm³; (10)Surface Tension: 48.1 dyne/cm; (11)Flash Point: 207.5 °C; (12)Enthalpy of Vaporization: 67.32 kJ/mol; (13)Boiling Point: 419.4 °C at 760 mmHg; (14)Vapour Pressure: 3.04E-07 mmHg at 25°C.

Uses of Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta(b)thiophene-3-carboxylate: it can be used to produce 3,5,6,7,8,9-hexahydro-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-one with formamide at heating. The yield is about 35%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)c1c2c(sc1N)CCCCC2
(2)InChI: InChI=1/C12H17NO2S/c1-2-15-12(14)10-8-6-4-3-5-7-9(8)16-11(10)13/h2-7,13H2,1H3
(3)InChIKey: XTUHIGALMIGZST-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C12H17NO2S/c1-2-15-12(14)10-8-6-4-3-5-7-9(8)16-11(10)13/h2-7,13H2,1H3
(5)Std. InChIKey: XTUHIGALMIGZST-UHFFFAOYSA-N

Product Name

ETHYL 2-AMINO-5,6,7,8-TETRAHYDRO-4H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE

Ethyl 2-amino-5,6,7,8-tetrahydro-4H-cyclohepta(b)thiophene-3-carboxylate Specification

Related Products

Hot Products