2-Amino-5,6-dihydro-4H-benzothiazol-7-one supplier

Name
2-AMINO-5,6-DIHYDRO-1,3-BENZOTHIAZOL-7(4H)-ONE
EINECS
CAS No. 17583-10-7
Article Data1
CAS DataBase
Density 1.428 g/cm³
Solubility
Melting Point 269-270 °C(Solv: ethyl acetate (141-78-6))
Formula C₇H₈N₂OS
Boiling Point 376 °C at 760 mmHg
Molecular Weight 168.219
Flash Point 181.2 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xi
Synonyms IFLAB-BB F1303-0001;2-AMINO-5,6-DIHYDRO-1,3-BENZOTHIAZOL-7(4H)-ONE;2-AMINO-5,6-DIHYDRO-4H-BENZOTHIAZOL-7-ONE;2-amino-5,6-dihydrobenzo[d]thiazol-7(4H)-one;7(4H)-Benzothiazolone, 2-aMino-5,6-dihydro-
PSA 84.22000
LogP 1.82550

2-Amino-5,6-dihydro-4H-benzothiazol-7-one Specification

This chemical is called 2-Amino-5,6-dihydro-4H-benzothiazol-7-one, and its CAS registry number is 17583-10-7. With the molecular formula of C₇H₈N₂OS, its molecular weight is 168.22.

Other characteristics of the 2-Amino-5,6-dihydro-4H-benzothiazol-7-one can be summarised as followings: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.76; (4)ACD/LogD (pH 7.4): 0.77; (5)ACD/BCF (pH 5.5): 2.2; (6)ACD/BCF (pH 7.4): 2.28; (7)ACD/KOC (pH 5.5): 60.48; (8)ACD/KOC (pH 7.4): 62.8; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 61.44 Å²; (13)Index of Refraction: 1.668; (14)Molar Refractivity: 43.88 cm³; (15)Molar Volume: 117.7 cm³; (16)Polarizability: 17.39×10^-24cm³; (17)Surface Tension: 74.6 dyne/cm; (18)Density: 1.428 g/cm³; (19)Flash Point: 181.2 °C; (20)Enthalpy of Vaporization: 62.36 kJ/mol; (21)Boiling Point: 376 °C at 760 mmHg; (22)Vapour Pressure: 7.46E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C2c1sc(nc1CCC2)N
2.InChI: InChI=1/C7H8N2OS/c8-7-9-4-2-1-3-5(10)6(4)11-7/h1-3H2,(H2,8,9)
3.InChIKey: JAZOMJIYYHHUBH-UHFFFAOYAG

Product Name

2-AMINO-5,6-DIHYDRO-1,3-BENZOTHIAZOL-7(4H)-ONE

2-Amino-5,6-dihydro-4H-benzothiazol-7-one Specification

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