Name: 4-Amino benzene sulfinic acid
SKU: 7472-15-3

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Basic Information

Molecular Structure:
CAS No.:	7472-15-3
Name:	4-Amino benzene sulfinic acid

Formula:	C₆H₇NO₂S
Molecular Weight:	157.193
Synonyms:	Benzenesulfinic acid, 4-amino;
Density:	1.549 g/cm³
Boiling Point:	432.601 °C at 760 mmHg
Flash Point:	215.429 °C
PSA:	82.53000
LogP:	2.29630

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Specification

The 4-Aminobenzenesulfinic acid, with the CAS registry number 7472-15-3, is also known as Benzenesulfinic acid, 4-amino. This chemical's molecular formula is C₆H₇NO₂S and molecular weight is 157.19. What's more, its IUPAC name is the same with its product name.

Physical properties about 4-Aminobenzenesulfinic acid are: (1)ACD/LogP: -0.772; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.89; (4)ACD/LogD (pH 7.4): -4.26; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 82.53 Å²; (13)Index of Refraction: 1.736; (14) Molar Refractivity: 40.775 cm³; (15)Molar Volume: 101.485 cm³; (16)Polarizability: 16.164×10^-24cm³; (17)Surface Tension: 100.794 dyne/cm; (18)Density: 1.549 g/cm³; (19)Flash Point: 215.429 °C; (20)Enthalpy of Vaporization: 72.564 kJ/mol; (21)Boiling Point: 432.601 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=S(O)c1ccc(N)cc1
(2) InChI: InChI=1S/C6H7NO2S/c7-5-1-3-6(4-2-5)10(8)9/h1-4H,7H2,(H,8,9)
(3) InChIKey: YSEBWPQBEDKBBV-UHFFFAOYSA-N