S-(4,4-difluorocyclohexyl)thiohydroxylamine

C6H11F2NS — CID 141168341

IUPACS-(4,4-difluorocyclohexyl)thiohydroxylamine
SMILESNSC1CCC(F)(F)CC1
InChIInChI=1S/C6H11F2NS/c7-6(8)3-1-5(10-9)2-4-6/h5H,1-4,9H2
InChIKeyXNXUYVHIUVGGDK-UHFFFAOYSA-N
MW167.22 g/mol
LogP2.17
Rot. Bonds1

About S-(4,4-difluorocyclohexyl)thiohydroxylamine

S-(4,4-difluorocyclohexyl)thiohydroxylamine (PubChem CID 141168341) has the molecular formula C6H11F2NS and a molecular weight of 167.22 g/mol. Its IUPAC name is S-(4,4-difluorocyclohexyl)thiohydroxylamine.

Molecular Properties

Compound NameS-(4,4-difluorocyclohexyl)thiohydroxylamine
PubChem CID141168341
Molecular FormulaC6H11F2NS
Molecular Weight167.22 g/mol
Exact Mass167.06
IUPAC NameS-(4,4-difluorocyclohexyl)thiohydroxylamine
SMILESNSC1CCC(F)(F)CC1
InChIInChI=1S/C6H11F2NS/c7-6(8)3-1-5(10-9)2-4-6/h5H,1-4,9H2
InChIKeyXNXUYVHIUVGGDK-UHFFFAOYSA-N
XLogP2.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Trifluoromethylsulfanylamino)sulfanylcyclohexane
CID 88577348
(Fluoromethylsulfanylamino)sulfanylcyclohexane
CID 89041201
[Oxido(trifluoromethylsulfanyl)azaniumyl]sulfanylcyclohexane
CID 163728040
4,4-Difluorocyclohexane-1-sulfinamide
CID 146013164
[Oxido(trifluoromethylsulfanyl)amino]sulfanylcyclohexane
CID 163728041

Frequently Asked Questions

What is the IUPAC name of S-(4,4-difluorocyclohexyl)thiohydroxylamine?
The IUPAC name of S-(4,4-difluorocyclohexyl)thiohydroxylamine (CID 141168341) is S-(4,4-difluorocyclohexyl)thiohydroxylamine.
What is the SMILES notation for S-(4,4-difluorocyclohexyl)thiohydroxylamine?
The canonical SMILES for S-(4,4-difluorocyclohexyl)thiohydroxylamine is NSC1CCC(F)(F)CC1.
What is the InChIKey of S-(4,4-difluorocyclohexyl)thiohydroxylamine?
The InChIKey is XNXUYVHIUVGGDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NS/c7-6(8)3-1-5(10-9)2-4-6/h5H,1-4,9H2.
What are the key properties of S-(4,4-difluorocyclohexyl)thiohydroxylamine?
S-(4,4-difluorocyclohexyl)thiohydroxylamine has a molecular weight of 167.22 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for S-(4,4-difluorocyclohexyl)thiohydroxylamine is sourced from PubChem (CID 141168341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).