3-methylidene-2-[(Z)-2-methylsulfanylprop-1-enyl]-4H-pyridine

C10H13NS — CID 170187969

IUPAC3-methylidene-2-[(Z)-2-methylsulfanylprop-1-enyl]-4H-pyridine
SMILESC=C1CC=CN=C1/C=C(/C)SC
InChIInChI=1S/C10H13NS/c1-8-5-4-6-11-10(8)7-9(2)12-3/h4,6-7H,1,5H2,2-3H3/b9-7-
InChIKeyCQVRCWOCZODSSV-CLFYSBASSA-N
MW179.29 g/mol
LogP3.17
Rot. Bonds2

About 3-methylidene-2-[(Z)-2-methylsulfanylprop-1-enyl]-4H-pyridine

3-methylidene-2-[(Z)-2-methylsulfanylprop-1-enyl]-4H-pyridine (PubChem CID 170187969) has the molecular formula C10H13NS and a molecular weight of 179.29 g/mol. Its IUPAC name is 3-methylidene-2-[(Z)-2-methylsulfanylprop-1-enyl]-4H-pyridine.

Molecular Properties

Compound Name3-methylidene-2-[(Z)-2-methylsulfanylprop-1-enyl]-4H-pyridine
PubChem CID170187969
Molecular FormulaC10H13NS
Molecular Weight179.29 g/mol
Exact Mass179.08
IUPAC Name3-methylidene-2-[(Z)-2-methylsulfanylprop-1-enyl]-4H-pyridine
SMILESC=C1CC=CN=C1/C=C(/C)SC
InChIInChI=1S/C10H13NS/c1-8-5-4-6-11-10(8)7-9(2)12-3/h4,6-7H,1,5H2,2-3H3/b9-7-
InChIKeyCQVRCWOCZODSSV-CLFYSBASSA-N
XLogP3.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.29
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-[(Z)-2-methylsulfanylprop-1-enyl]-4H-pyridine?
The IUPAC name of 3-methylidene-2-[(Z)-2-methylsulfanylprop-1-enyl]-4H-pyridine (CID 170187969) is 3-methylidene-2-[(Z)-2-methylsulfanylprop-1-enyl]-4H-pyridine.
What is the SMILES notation for 3-methylidene-2-[(Z)-2-methylsulfanylprop-1-enyl]-4H-pyridine?
The canonical SMILES for 3-methylidene-2-[(Z)-2-methylsulfanylprop-1-enyl]-4H-pyridine is C=C1CC=CN=C1/C=C(/C)SC.
What is the InChIKey of 3-methylidene-2-[(Z)-2-methylsulfanylprop-1-enyl]-4H-pyridine?
The InChIKey is CQVRCWOCZODSSV-CLFYSBASSA-N. The full InChI is InChI=1S/C10H13NS/c1-8-5-4-6-11-10(8)7-9(2)12-3/h4,6-7H,1,5H2,2-3H3/b9-7-.
What are the key properties of 3-methylidene-2-[(Z)-2-methylsulfanylprop-1-enyl]-4H-pyridine?
3-methylidene-2-[(Z)-2-methylsulfanylprop-1-enyl]-4H-pyridine has a molecular weight of 179.29 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-[(Z)-2-methylsulfanylprop-1-enyl]-4H-pyridine is sourced from PubChem (CID 170187969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).