(2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine

C11H13NS — CID 89470417

IUPAC(2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine
SMILESC=c1cccn/c1=C/C(=C\C)SC
InChIInChI=1S/C11H13NS/c1-4-10(13-3)8-11-9(2)6-5-7-12-11/h4-8H,2H2,1,3H3/b10-4+,11-8+
InChIKeyCNSZIKDTWZOWEO-HZLOGALDSA-N
MW191.30 g/mol
LogP1.54
Rot. Bonds2

About (2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine

(2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine (PubChem CID 89470417) has the molecular formula C11H13NS and a molecular weight of 191.30 g/mol. Its IUPAC name is (2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine.

Molecular Properties

Compound Name(2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine
PubChem CID89470417
Molecular FormulaC11H13NS
Molecular Weight191.30 g/mol
Exact Mass191.08
IUPAC Name(2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine
SMILESC=c1cccn/c1=C/C(=C\C)SC
InChIInChI=1S/C11H13NS/c1-4-10(13-3)8-11-9(2)6-5-7-12-11/h4-8H,2H2,1,3H3/b10-4+,11-8+
InChIKeyCNSZIKDTWZOWEO-HZLOGALDSA-N
XLogP1.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.30
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine?
The IUPAC name of (2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine (CID 89470417) is (2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine.
What is the SMILES notation for (2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine?
The canonical SMILES for (2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine is C=c1cccn/c1=C/C(=C\C)SC.
What is the InChIKey of (2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine?
The InChIKey is CNSZIKDTWZOWEO-HZLOGALDSA-N. The full InChI is InChI=1S/C11H13NS/c1-4-10(13-3)8-11-9(2)6-5-7-12-11/h4-8H,2H2,1,3H3/b10-4+,11-8+.
What are the key properties of (2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine?
(2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine has a molecular weight of 191.30 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-methylidene-2-[(E)-2-methylsulfanylbut-2-enylidene]pyridine is sourced from PubChem (CID 89470417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).