The molecular structure of 2-Amino-benzothiazol-6-ol (CAS NO.26278-79-5):
IUPAC Name: 2-Amino-1,3-benzothiazol-6-ol
Molecular Formula: C7H6N2OS
Molecular Weight: 166.2003 g/mol
Density: 1.553 g/cm3
Boiling Point: 394.6 °C at 760 mmHg
Flash Point: 192.4 °C
Index of Refraction: 1.823
Molar Refractivity: 46.68 cm3
Molar Volume: 106.9 cm3
Polarizability: 18.5 10-24 cm3
Surface Tension: 89.7 dyne/cm
Enthalpy of Vaporization: 66.98 kJ/mol
Vapour Pressure: 8.61E-07 mmHg at 25 °C
XLogP3: 1.9
H-Bond Donor: 2
H-Bond Acceptor: 3
Tautomer Count: 6
Exact Mass: 166.020084
MonoIsotopic Mass: 166.020084
Topological Polar Surface Area: 59.1
Heavy Atom Count: 11
Canonical SMILES: C1=CC2=C(C=C1O)SC(=N2)N
InChI: InChI=1S/C7H6N2OS/c8-7-9-5-2-1-4(10)3-6(5)11-7/h1-3,10H,(H2,8,9)
InChIKey: VLNVTNUTGNBNBY-UHFFFAOYSA-N
Product Categories of 2-Amino-benzothiazol-6-ol (CAS NO.26278-79-5): BENZOTHIAZOLE
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intravenous | 300mg/kg (300mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 105, Pg. 486, 1952. |
Risk Statements: 36/37/38
36/37/38: Irritating to eyes, respiratory system and skin
Safety Statements: 26-36/37/39
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36/37/39: Wear suitable protective clothing, gloves and eye/face protection
2-Amino-benzothiazol-6-ol (CAS NO.26278-79-5) is also named as 4-27-00-05450 (Beilstein Handbook Reference) ; 6-Hydroxy-2-aminobenzothiazole ; BRN 0127746 ; Benzothiazole, 2-amino-6-hydroxy- .
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