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Ammonium Thiosulfate

CAS: 7783-18-8 | H8N2O3S2

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 7783-18-8
Molecular Formula: H8N2O3S2
Molecular Weight: 148.20899999999997 g/mol

Names and Synonyms:

Ammonium Thiosulfate
Ammonium thiosulfate
Thio-Sul
Diammonium thiosulfate
Ammonium hyposulfite
Thiosulfuric acid (H2S2O3), diammonium salt
Thiosulfuric acid, diammonium salt
Ammonium thiosulfate ((NH4)2S2O3)
Thiosulfuric acid (H2S2O3), ammonium salt (1:2)

Identifiers:

SMILES:
N.N.O=S(O)(O)=S
InChI:
InChI=1S/2H3N.H2O3S2/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4)

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
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.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
molecular_mass 148.21 g/mol Legacy Database
density 1.68 g/cm³ Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/Ammonium_thiosulfate None Legacy Database
cas-canonical-smile O=S(=O)(O)S.N None Legacy Database
cas-density 1.679 g/cm3 None Legacy Database
cas-inchi InChI=1S/2H3N.H2O3S2/c;;1-5(2,3)4/h2*1H3;(H2,1,2,3,4) None Legacy Database
cas-inchi-key InChIKey=XYXNTHIYBIDHGM-UHFFFAOYSA-N None Legacy Database
cas-melting-point 150 °C (decomp) None Legacy Database
cas-name Ammonium thiosulfate None Legacy Database
wikipedia-name Ammonium thiosulfate None Legacy Database
LogP 0.0026999999999995916 RDKit

Molecular

Property Value Source
Molecular Weight 148.20899999999997 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 147.997634116 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 7 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 4 count RDKit
Hydrogen Bond Donors 4 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 0 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 127.53 Ų RDKit

Molar

Property Value Source
Molar Refractivity 30.80920000000001 RDKit

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