6-Benzothiazolecarboxylicacid, 2-amino-, methyl ester supplier

Name
2-AMINO-BENZOTHIAZOLE-6-CARBOXYLIC ACID METHYL ESTER
EINECS
CAS No. 66947-92-0
Article Data14
CAS DataBase
Density 1.422 g/cm³
Solubility
Melting Point 244-246 °C
Formula C₉H₈N₂O₂S
Boiling Point 378.4 °C at 760 mmHg
Molecular Weight 208.241
Flash Point 182.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms 2-Amino-6-(carbomethoxy)benzothiazole;6-Benzothiazolecarboxylicacid,2-amino-,methylester(9CI);
PSA 93.45000
LogP 2.24630

6-Benzothiazolecarboxylicacid, 2-amino-, methyl ester Specification

The CAS register number of 6-Benzothiazolecarboxylicacid, 2-amino-, methyl ester is 66947-92-0. It also can be called as 2-Amino-6-(carbomethoxy)benzothiazole and the systematic name about this chemical is methyl 2-amino-1,3-benzothiazole-6-carboxylate. The molecular formula about this chemical is C₉H₈N₂O₂S and the molecular weight is 208.24. It belongs to the following product categorie which include Benzothiazole.

Physical properties about 6-Benzothiazolecarboxylicacid, 2-amino-, methyl ester are: (1)ACD/LogP: 1.87; (2)ACD/LogD (pH 5.5): 1.86; (3)ACD/LogD (pH 7.4): 1.87; (4)ACD/BCF (pH 5.5): 15.33; (5)ACD/BCF (pH 7.4): 15.52; (6)ACD/KOC (pH 5.5): 244.8; (7)ACD/KOC (pH 7.4): 247.72; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 70.67 Å²; (12)Index of Refraction: 1.699; (13)Molar Refractivity: 56.58 cm³; (14)Molar Volume: 146.4 cm³; (15)Polarizability: 22.43x10^-24cm³; (16)Surface Tension: 67.1 dyne/cm; (17)Density: 1.422 g/cm³; (18)Flash Point: 182.6 °C; (19)Enthalpy of Vaporization: 62.63 kJ/mol; (20)Boiling Point: 378.4 °C at 760 mmHg; (21)Vapour Pressure: 6.31E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccc2nc(sc2c1)N
(2)InChI: InChI=1/C9H8N2O2S/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h2-4H,1H3,(H2,10,11)
(3)InChIKey: DNGZINUIRBDWED-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H8N2O2S/c1-13-8(12)5-2-3-6-7(4-5)14-9(10)11-6/h2-4H,1H3,(H2,10,11)
(5)Std. InChIKey: DNGZINUIRBDWED-UHFFFAOYSA-N

Product Name

2-AMINO-BENZOTHIAZOLE-6-CARBOXYLIC ACID METHYL ESTER

6-Benzothiazolecarboxylicacid, 2-amino-, methyl ester Specification

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