Name: ETHYL 2-AMINO-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOLE-4-CARBOXYLATE
SKU: 76263-11-1

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Basic Information

Molecular Structure:
CAS No.:	76263-11-1
Name:	ETHYL 2-AMINO-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOLE-4-CARBOXYLATE
Article Data:	12

Formula:	C₁₀H₁₄N₂O₂S
Molecular Weight:	226.29536
Synonyms:	ETHYL 2-AMINO-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOLE-4-CARBOXYLATE;ETHYL 2-AMINO-4,5,6,7-TETRAHYDROBENZOTHIAZOLE-4-CARBOXYLATE;Ethyl 2-amino-4,5,6,7-tetrahydrobenzothiazole-4-;2-Amino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester;76263-11-1
Density:	1.29 g/cm³
Melting Point:	173-174 °C
Boiling Point:	381.014 °C at 760 mmHg
Flash Point:	184.231 °C
Hazard Symbols:	Xi
PSA:	93.45000
LogP:	2.28950

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Specification

The 4-Benzothiazolecarboxylicacid, 2-amino-4,5,6,7-tetrahydro-, ethyl ester, with the CAS registry number 76263-11-1, is also known as 2-Amino-4,5,6,7-tetrahydro-benzothiazole-4-carboxylic acid ethyl ester. This chemical's molecular formula is C₁₀H₁₄N₂O₂S and molecular weight is 226.29536. What's more, both its IUPAC name and systematic name are the same which is called Ethyl 2-amino-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxylate. When you are dealing with this chemical, you should be very careful. This chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 4-Benzothiazolecarboxylicacid, 2-amino-4,5,6,7-tetrahydro-, ethyl ester are: (1)ACD/LogP: 1.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 59; (8)ACD/KOC (pH 7.4): 160; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 93.45 Å²; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 59.334 cm³; (15)Molar Volume: 175.365 cm³; (16)Surface Tension: 58.338 dyne/cm; (17)Density: 1.29 g/cm³; (18)Flash Point: 184.231 °C; (19)Enthalpy of Vaporization: 62.924 kJ/mol; (20)Boiling Point: 381.014 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)C1CCCc2sc(N)nc12
(2) InChI: InChI=1/C10H14N2O2S/c1-2-14-9(13)6-4-3-5-7-8(6)12-10(11)15-7/h6H,2-5H2,1H3,(H2,11,12)
(3) InChIKey: NNEBHSVVRNIDMV-UHFFFAOYAH