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Thionyl imide

HCID 139610
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Basic informationOverviewNames & identifiersPropertiesChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
13817-04-4
Standard SMILES
N=S=O
InChIKey
PIZNQHDTOZMVBH-UHFFFAOYSA-N
Molecular formula
HNOS
Average molar mass
63.08 g/mol
Monoisotopic mass
62.97788465

Overview

Thionylimide is an imide in which an imino group and an oxo group are both attached to an atom of sulfur.

Names & identifiers

Preferred name
Thionyl imide
IUPAC
Imino(oxo)-lambda~4~-sulfane
English name
1-Oxa-2-thia(IV)-3-azaallene
Molecular formula
HNOS
Molecular weight
63.08

Names & synonyms

Thionylimide13817-04-4CHEBI:48872DTXSID80160515Thionyl imideRefChem:1100007DTXCID4083006HN=S=ON-sulfinylamineSCHEMBL64076SCHEMBL143331SCHEMBL935073
Show more names
SulfinylamineSulfinyl imideSulfurous imideImino(oxo)sulfur(IV)1-Oxa-2-thia(IV)-3-azaallene
Imino(oxo)-lambda~4~-sulfaneSCHEMBL2561258Q27121381

Database identifiers

CAS
13817-04-4
PubChem CID
139610
DTXSID
DTXSID80160515
ChEBI
CHEBI:48872
Nikkaji
J247.783A、J247.786F

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
41.9 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
0
Heavy atoms
3
Formal charge
0
Complexity
27.8

Physicochemical properties

Melting point
-85 °C · -85 °C
Boiling point
105 · 105-107 °C
Density
1.586 · 1.586±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)

Chemistry & industry

Suppliers1 total

Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]

Additional notes

DefinitionChEBI: An imide in which an imino group and an oxo group are both attached to an atom of sulfur.

Related reactions

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Compound notes

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