Ammonium Bisulfite

CAS: 10192-30-0 · H5NO3S

2D Structure

Loading 3D structure...

CAS Registry Number

10192-30-0

SMILES

N.O=S(O)O

InChI Key

ZETCGWYACBNPIH-UHFFFAOYSA-N

InChI

InChI=1S/H3N.H2O3S/c;1-4(2)3/h1H3;(H2,1,2,3)

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	99.11 g/mol	CAS Common Chemistry
	99.11099999999999 g/mol	RDKit
	99.111 g/mol	RDKit
	99.104 g/mol	chempirical lib
Density	2.03 g/cm³	CAS Common Chemistry
	2.03 g/cm3	CAS Common Chemistry
Canonical SMILES	O=S(O)O.N	CAS Common Chemistry
InChI	InChI=1S/H3N.H2O3S/c;1-4(2)3/h1H3;(H2,1,2,3)	CAS Common Chemistry
InChI Key	InChIKey=ZETCGWYACBNPIH-UHFFFAOYSA-N	CAS Common Chemistry
Name	Ammonium bisulfite	CAS Common Chemistry
Heavy Atom Count	5	RDKit
Hydrogen Bond Acceptors	2	RDKit
Hydrogen Bond Donors	3	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	92.53 Å²	RDKit
	101.53 Å²	chempirical lib
LogP	-0.15689999999999993	RDKit
	-0.1569	RDKit
Molar Refractivity	18.4221 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	98.99901402 g/mol	RDKit

NMR, IR, and Mass spectral data

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Convert

MW = 99.11 g/mol; density = 2.030 g/mL. Edit any field — others recompute live.

Mass (g) Moles (mmol) Moles (mol) Volume (mL)