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66947-92-0

Basic Information
CAS No.: 66947-92-0
Name: 6-Benzothiazolecarboxylicacid, 2-amino-, methyl ester
Article Data: 14
Cas Database
Molecular Structure:
Molecular Structure of 66947-92-0 (6-Benzothiazolecarboxylicacid, 2-amino-, methyl ester)
Formula: C9H8N2O2S
Molecular Weight: 208.241
Synonyms: 2-Amino-6-(carbomethoxy)benzothiazole;6-Benzothiazolecarboxylicacid,2-amino-,methylester(9CI);
EINECS: N/A
Density: 1.422 g/cm3
Melting Point: 244-246 °C
Boiling Point: 378.4 °C at 760 mmHg
Flash Point: 182.6 °C
Solubility: N/A
Appearance: N/A
Hazard Symbols: IrritantXi
Risk Codes: N/A
Safety:
Transport Information: N/A
PSA: 93.45000
LogP: 2.24630
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    Shanyang new material (Suzhou) Co., Ltd (for short SY) was founded in 2015-02.It is a national high-tech enterprise, which specializes in technology development, large scale produc

  • Suzhou Shanyang New Material Co., Ltd

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:86-13862023007

    Address:No.558 Foho Avenue of Wujiang District

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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