thionitrosocyclohexane

C6H11NS — CID 58392811

IUPACthionitrosocyclohexane
SMILESS=NC1CCCCC1
InChIInChI=1S/C6H11NS/c8-7-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyUOQDASVOMAXXBY-UHFFFAOYSA-N
MW129.23 g/mol
LogP2.05
Rot. Bonds1

About thionitrosocyclohexane

thionitrosocyclohexane (PubChem CID 58392811) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is thionitrosocyclohexane.

Molecular Properties

Compound Namethionitrosocyclohexane
PubChem CID58392811
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Namethionitrosocyclohexane
SMILESS=NC1CCCCC1
InChIInChI=1S/C6H11NS/c8-7-6-4-2-1-3-5-6/h6H,1-5H2
InChIKeyUOQDASVOMAXXBY-UHFFFAOYSA-N
XLogP2.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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nitrosocyclopentadecane
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N-cyclohexylmethanimine;ethane
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CID 175020266
N'-cycloundecylmethanediimine
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azidocycloheptane
CID 14917746
N-cyclohexylethenimine
CID 22149410
1-amino-2-cyclohexylguanidine;hydrochloride
CID 91622736
N-cyclohexylcyclododecanimine
CID 12713305
N-(cyclohexyldiazenyl)methanimine
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Frequently Asked Questions

What is the IUPAC name of thionitrosocyclohexane?
The IUPAC name of thionitrosocyclohexane (CID 58392811) is thionitrosocyclohexane.
What is the SMILES notation for thionitrosocyclohexane?
The canonical SMILES for thionitrosocyclohexane is S=NC1CCCCC1.
What is the InChIKey of thionitrosocyclohexane?
The InChIKey is UOQDASVOMAXXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c8-7-6-4-2-1-3-5-6/h6H,1-5H2.
What are the key properties of thionitrosocyclohexane?
thionitrosocyclohexane has a molecular weight of 129.23 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thionitrosocyclohexane is sourced from PubChem (CID 58392811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).