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Basic Information
CAS No.: 23031-78-9
Name: 1,2-Benzisothiazol-3-amine
Article Data: 11
Molecular Structure:
Molecular Structure of 23031-78-9 (1,2-Benzisothiazol-3-amine)
Formula: C7H6N2S
Molecular Weight: 150.204
Synonyms: 1,2-Benzisothiazole,3-amino- (8CI);3-Amino-1,2-benzisothiazole;3-Benzisothiazoleamine;
EINECS: 245-388-4
Density: 1.384 g/cm3
Melting Point: 114 °C(Solv: methanol (67-56-1))
Boiling Point: 217.591 °C at 760 mmHg
Flash Point: 85.396 °C
PSA: 67.15000
LogP: 2.45970
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Chemistry

IUPAC Name: 1,2-Benzothiazol-3-amine
Synonyms of 1,2-Benzisothiazol-3-amine (CAS NO.23031-78-9): 1,2-Benzisothiazol-3-ylamine
CAS NO: 23031-78-9
Molecular Formula: C7H6N2S
Molecular Weight: 150.20
Molecular Structure:
EINECS: 245-388-4
H bond acceptors: 2
H bond donors: 2
Freely Rotating Bonds: 0
Polar Surface Area: 44.37 Å2
Index of Refraction: 1.763
Molar Refractivity: 44.8 cm3
Molar Volume: 108.5 cm3
Surface Tension: 70.2 dyne/cm
Density: 1.383 g/cm3
Flash Point: 85.4 °C
Enthalpy of Vaporization: 45.4 kJ/mol
Boiling Point: 217.6 °C at 760 mmHg
Vapour Pressure: 0.132 mmHg at 25°C
SMILES: n2sc1ccccc1c2N
InChI: InChI=1/C7H6N2S/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H,(H2,8,9)
InChIKey: WIJQCPIRWXSWQG-UHFFFAOYAF
Std. InChI: InChI=1S/C7H6N2S/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H,(H2,8,9)
Std. InChIKey: WIJQCPIRWXSWQG-UHFFFAOYSA-N
Product Categories of 1,2-Benzisothiazol-3-amine (CAS NO.23031-78-9): AMINEPRIMARY