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1629-95-4

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Basic Information
CAS No.: 1629-95-4
Name: 2-AMINO-5,5-DIMETHYL-5,6-DIHYDROBENZOTHIAZOL-7(4H)-ONE
Article Data: 17
Molecular Structure:
Molecular Structure of 1629-95-4 (2-AMINO-5,5-DIMETHYL-5,6-DIHYDROBENZOTHIAZOL-7(4H)-ONE)
Formula: C9H12N2OS
Molecular Weight: 196.273
Synonyms: 2-Amino-5,5-dimethyl-5,6-dihydro-1,3-benzothiazol-7(4H)-one;2-Amino-5,5-dimethyl-7-keto-4,5,6,7-tetrahydrobenzothiazole;
Density: 1.256 g/cm3
Melting Point: 212 °C(Solv: water (7732-18-5))
Boiling Point: 357.5 °C at 760 mmHg
Flash Point: 170 °C
Hazard Symbols: IrritantXi
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 84.22000
LogP: 2.46160
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Specification

The 7(4H)-Benzothiazolone,2-amino-5,6-dihydro-5,5-dimethyl- is an organic compound with the formula C9H12N2OS. The IUPAC name of this chemical is 2-Amino-5,5-dimethyl-4,6-dihydro-1,3-benzothiazol-7-one. With the CAS registry number 1629-95-4, it is also named as 2-Amino-5,5-dimethyl-5,6-dihydrobenzothiazol-7(4h)-one. Besides, its molecular weight is 196.27.

Physical properties about 7(4H)-Benzothiazolone,2-amino-5,6-dihydro-5,5-dimethyl- are: (1)ACD/LogP: 1.81; (2)ACD/LogD (pH 5.5): 1.79; (3)ACD/LogD (pH 7.4): 1.81; (4)ACD/BCF (pH 5.5): 13.35; (5)ACD/BCF (pH 7.4): 13.9; (6)ACD/KOC (pH 5.5): 219.79; (7)ACD/KOC (pH 7.4): 229; (8)#H bond acceptors: 3; (9)#H bond donors: 2; (10)Polar Surface Area: 61.44 Å2; (11)Index of Refraction: 1.596; (12)Molar Refractivity: 53.2 cm3; (13)Molar Volume: 156.1 cm3; (14)Polarizability: 21.09×10-24 cm3; (15)Surface Tension: 53.6 dyne/cm; (16)Density: 1.256 g/cm3; (17)Flash Point: 170 °C; (18)Enthalpy of Vaporization: 60.29 kJ/mol; (19)Boiling Point: 357.5 °C at 760 mmHg; (20)Vapour Pressure: 2.71E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C9H12N2OS/c1-9(2)3-5-7(6(12)4-9)13-8(10)11-5/h3-4H2,1-2H3,(H2,10,11)
(2)InChIKey: KFWIDHVBJCCTNN-UHFFFAOYAY
(3)Std. InChI: InChI=1S/C9H12N2OS/c1-9(2)3-5-7(6(12)4-9)13-8(10)11-5/h3-4H2,1-2H3,(H2,10,11)
(4)Std. InChIKey: KFWIDHVBJCCTNN-UHFFFAOYSA-N