Sulfuric Acid-D2

CAS: 13813-19-9 | H2O4S

2D Structure

Loading 3D structure...

CAS Registry Number

13813-19-9

SMILES

[2H]OS(=O)(=O)O[2H]

InChI Key

QAOWNCQODCNURD-ZSJDYOACSA-N

InChI

InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/i/hD2

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	100.09 g/mol	CAS Common Chemistry
	100.09120355599998 g/mol	RDKit
	99.979933036 g/mol	RDKit
	100.0912 g/mol	RDKit
Density	1.86 g/cm³	CAS Common Chemistry
	1.8573 g/cm3 @ 25 °C	CAS Common Chemistry
Boiling Point	323.6 °C	CAS Common Chemistry
Canonical SMILES	O=S(=O)(O)O	CAS Common Chemistry
InChI	InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/i/hD2	CAS Common Chemistry
InChI Key	InChIKey=QAOWNCQODCNURD-ZSJDYOACSA-N	CAS Common Chemistry
Melting Point	-39 °C	CAS Common Chemistry
Name	Sulfuric acid-d2	CAS Common Chemistry
Heavy Atom Count	5	RDKit
Hydrogen Bond Acceptors	4	RDKit
Hydrogen Bond Donors	2	RDKit
Rotatable Bonds	2	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	74.6 Å²	RDKit
LogP	-0.6528	RDKit
Molar Refractivity	14.1774 cm³/mol	RDKit
Ring Count	0	RDKit
Formal Charge	0	RDKit
Fraction Csp3	0.0	RDKit
Exact Mass	98.072 g/mol	chempirical lib

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.

Other compounds with formula H2O4S.