5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbaldehyde

C19H18N2OS2 — CID 162652396

IUPAC5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbaldehyde
SMILESC=C(c1cc(SC)nc(SC)c1)c1ccc2c(c1)c(C=O)cn2C
InChIInChI=1S/C19H18N2OS2/c1-12(14-8-18(23-3)20-19(9-14)24-4)13-5-6-17-16(7-13)15(11-22)10-21(17)2/h5-11H,1H2,2-4H3
InChIKeyRSKJJQJVRAZYCZ-UHFFFAOYSA-N
MW354.50 g/mol
LogP4.89
Rot. Bonds5

About 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbaldehyde

5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbaldehyde (PubChem CID 162652396) has the molecular formula C19H18N2OS2 and a molecular weight of 354.50 g/mol. Its IUPAC name is 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbaldehyde
PubChem CID162652396
Molecular FormulaC19H18N2OS2
Molecular Weight354.50 g/mol
Exact Mass354.09
IUPAC Name5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbaldehyde
SMILESC=C(c1cc(SC)nc(SC)c1)c1ccc2c(c1)c(C=O)cn2C
InChIInChI=1S/C19H18N2OS2/c1-12(14-8-18(23-3)20-19(9-14)24-4)13-5-6-17-16(7-13)15(11-22)10-21(17)2/h5-11H,1H2,2-4H3
InChIKeyRSKJJQJVRAZYCZ-UHFFFAOYSA-N
XLogP4.89
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbaldehyde?
The IUPAC name of 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbaldehyde (CID 162652396) is 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbaldehyde.
What is the SMILES notation for 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbaldehyde?
The canonical SMILES for 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbaldehyde is C=C(c1cc(SC)nc(SC)c1)c1ccc2c(c1)c(C=O)cn2C.
What is the InChIKey of 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbaldehyde?
The InChIKey is RSKJJQJVRAZYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2OS2/c1-12(14-8-18(23-3)20-19(9-14)24-4)13-5-6-17-16(7-13)15(11-22)10-21(17)2/h5-11H,1H2,2-4H3.
What are the key properties of 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbaldehyde?
5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbaldehyde has a molecular weight of 354.50 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[2,6-bis(methylsulfanyl)-4-pyridinyl]ethenyl]-1-methylindole-3-carbaldehyde is sourced from PubChem (CID 162652396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).