Product Name

  • Name

    ETHYL 2-AMINO-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOLE-4-CARBOXYLATE

  • EINECS
  • CAS No. 76263-11-1
  • Article Data12
  • CAS DataBase
  • Density 1.29 g/cm3
  • Solubility
  • Melting Point 173-174 °C
  • Formula C10H14N2O2S
  • Boiling Point 381.014 °C at 760 mmHg
  • Molecular Weight 226.29536
  • Flash Point 184.231 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 76263-11-1 (ETHYL 2-AMINO-4,5,6,7-TETRAHYDRO-1,3-BENZOTHIAZOLE-4-CARBOXYLATE)
  • Hazard Symbols IrritantXi
  • 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
  • PSA 93.45000
  • LogP 2.28950

4-Benzothiazolecarboxylicacid, 2-amino-4,5,6,7-tetrahydro-, ethyl ester 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

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