methyl-methylidene-(pyridin-3-ylmethoxy)-λ4-sulfane

C8H11NOS — CID 123636618

IUPACmethyl-methylidene-(pyridin-3-ylmethoxy)-λ4-sulfane
SMILESC=S(C)OCc1cccnc1
InChIInChI=1S/C8H11NOS/c1-11(2)10-7-8-4-3-5-9-6-8/h3-6H,1,7H2,2H3
InChIKeyGIBUOURSRLWREJ-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.84
Rot. Bonds3

About methyl-methylidene-(pyridin-3-ylmethoxy)-λ4-sulfane

methyl-methylidene-(pyridin-3-ylmethoxy)-λ4-sulfane (PubChem CID 123636618) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is methyl-methylidene-(pyridin-3-ylmethoxy)-λ4-sulfane.

Molecular Properties

Compound Namemethyl-methylidene-(pyridin-3-ylmethoxy)-λ4-sulfane
PubChem CID123636618
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Namemethyl-methylidene-(pyridin-3-ylmethoxy)-λ4-sulfane
SMILESC=S(C)OCc1cccnc1
InChIInChI=1S/C8H11NOS/c1-11(2)10-7-8-4-3-5-9-6-8/h3-6H,1,7H2,2H3
InChIKeyGIBUOURSRLWREJ-UHFFFAOYSA-N
XLogP1.84
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

pyridin-3-ylmethyl sulfite
CID 56985021
trimethyl(pyridin-3-ylmethoxy)silane
CID 11063032
3-[[4-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 91147542
2-(pyridin-3-ylmethoxy)pyrazine
CID 90915376
3-[[2-(pyridin-3-ylmethoxy)phenoxy]methyl]pyridine
CID 102197893
3-(1,1-difluoroethoxymethyl)pyridine
CID 90124962
3-ethylpyridine
CID 10823
3-(pyridin-3-ylmethyl)pyridine
CID 14762640
3-(phenoxymethyl)pyridine;hydrochloride
CID 157085776
3-[(4-chloro-3,5-dimethylphenoxy)methyl]pyridine
CID 112828338
3-(3,3-dimethylbutoxymethyl)pyridine
CID 154991745
4,5-dichloro-2-(pyridin-3-ylmethoxy)aniline
CID 107498882

Frequently Asked Questions

What is the IUPAC name of methyl-methylidene-(pyridin-3-ylmethoxy)-λ4-sulfane?
The IUPAC name of methyl-methylidene-(pyridin-3-ylmethoxy)-λ4-sulfane (CID 123636618) is methyl-methylidene-(pyridin-3-ylmethoxy)-λ4-sulfane.
What is the SMILES notation for methyl-methylidene-(pyridin-3-ylmethoxy)-λ4-sulfane?
The canonical SMILES for methyl-methylidene-(pyridin-3-ylmethoxy)-λ4-sulfane is C=S(C)OCc1cccnc1.
What is the InChIKey of methyl-methylidene-(pyridin-3-ylmethoxy)-λ4-sulfane?
The InChIKey is GIBUOURSRLWREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-11(2)10-7-8-4-3-5-9-6-8/h3-6H,1,7H2,2H3.
What are the key properties of methyl-methylidene-(pyridin-3-ylmethoxy)-λ4-sulfane?
methyl-methylidene-(pyridin-3-ylmethoxy)-λ4-sulfane has a molecular weight of 169.25 g/mol, XLogP of 1.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-methylidene-(pyridin-3-ylmethoxy)-λ4-sulfane is sourced from PubChem (CID 123636618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).