IUPAC Name: 5-Nitro-2,1-benzothiazol-3-amine
Canonical SMILES: C1=CC2=NSC(=C2C=C1[N+](=O)[O-])N
InChI: InChI=1S/C7H5N3O2S/c8-7-5-3-4(10(11)12)1-2-6(5)9-13-7/h1-3H,8H2
InChIKey: SQBCSDZTDXLTLE-UHFFFAOYSA-N
Molecular Weight: 195.1985 [g/mol]
Molecular Formula: C7H5N3O2S
XLogP3-AA: 1.8
H-Bond Donor: 1
H-Bond Acceptor: 4
EINECS: 238-298-1
Product Categories: Intermediates of Dyes and Pigments
Index of Refraction: 1.797
Molar Refractivity: 51.35 cm3
Molar Volume: 120.3 cm3
Surface Tension: 89 dyne/cm
Density: 1.621 g/cm3
Flash Point: 207.1 °C
Enthalpy of Vaporization: 67.24 kJ/mol
Boiling Point: 418.8 °C at 760 mmHg
Vapour Pressure: 3.2E-07 mmHg at 25 °C
5-Nitro-2,1-benzisothiazol-3-amine (CAS NO.14346-19-1), its Synonyms are 2,1-Benzisothiazol-3-amine, 5-nitro- ; 5-Nitro-1,3-dihydrobenzo[c]isothiazol-3-amine ; 3-Amino-5-nitro-2,1-isobenzothiazole .
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