4-[[4-(pyridin-4-ylsulfanylmethyl)thiophen-3-yl]methylsulfanyl]pyridine

C16H14N2S3 — CID 139194632

IUPAC4-[[4-(pyridin-4-ylsulfanylmethyl)thiophen-3-yl]methylsulfanyl]pyridine
SMILESc1cc(SCc2cscc2CSc2ccncc2)ccn1
InChIInChI=1S/C16H14N2S3/c1-5-17-6-2-15(1)20-11-13-9-19-10-14(13)12-21-16-3-7-18-8-4-16/h1-10H,11-12H2
InChIKeyWERLIYIVCVGUSX-UHFFFAOYSA-N
MW330.50 g/mol
LogP5.12
Rot. Bonds6

About 4-[[4-(pyridin-4-ylsulfanylmethyl)thiophen-3-yl]methylsulfanyl]pyridine

4-[[4-(pyridin-4-ylsulfanylmethyl)thiophen-3-yl]methylsulfanyl]pyridine (PubChem CID 139194632) has the molecular formula C16H14N2S3 and a molecular weight of 330.50 g/mol. Its IUPAC name is 4-[[4-(pyridin-4-ylsulfanylmethyl)thiophen-3-yl]methylsulfanyl]pyridine.

Molecular Properties

Compound Name4-[[4-(pyridin-4-ylsulfanylmethyl)thiophen-3-yl]methylsulfanyl]pyridine
PubChem CID139194632
Molecular FormulaC16H14N2S3
Molecular Weight330.50 g/mol
Exact Mass330.03
IUPAC Name4-[[4-(pyridin-4-ylsulfanylmethyl)thiophen-3-yl]methylsulfanyl]pyridine
SMILESc1cc(SCc2cscc2CSc2ccncc2)ccn1
InChIInChI=1S/C16H14N2S3/c1-5-17-6-2-15(1)20-11-13-9-19-10-14(13)12-21-16-3-7-18-8-4-16/h1-10H,11-12H2
InChIKeyWERLIYIVCVGUSX-UHFFFAOYSA-N
XLogP5.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.50
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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4-(methoxymethylsulfanyl)pyridine
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CID 105470275
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CID 19079134
4-pyridin-4-ylsulfanylphenol
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7-methyl-4-(pyridin-4-ylsulfanylmethyl)chromen-2-one
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Frequently Asked Questions

What is the IUPAC name of 4-[[4-(pyridin-4-ylsulfanylmethyl)thiophen-3-yl]methylsulfanyl]pyridine?
The IUPAC name of 4-[[4-(pyridin-4-ylsulfanylmethyl)thiophen-3-yl]methylsulfanyl]pyridine (CID 139194632) is 4-[[4-(pyridin-4-ylsulfanylmethyl)thiophen-3-yl]methylsulfanyl]pyridine.
What is the SMILES notation for 4-[[4-(pyridin-4-ylsulfanylmethyl)thiophen-3-yl]methylsulfanyl]pyridine?
The canonical SMILES for 4-[[4-(pyridin-4-ylsulfanylmethyl)thiophen-3-yl]methylsulfanyl]pyridine is c1cc(SCc2cscc2CSc2ccncc2)ccn1.
What is the InChIKey of 4-[[4-(pyridin-4-ylsulfanylmethyl)thiophen-3-yl]methylsulfanyl]pyridine?
The InChIKey is WERLIYIVCVGUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2S3/c1-5-17-6-2-15(1)20-11-13-9-19-10-14(13)12-21-16-3-7-18-8-4-16/h1-10H,11-12H2.
What are the key properties of 4-[[4-(pyridin-4-ylsulfanylmethyl)thiophen-3-yl]methylsulfanyl]pyridine?
4-[[4-(pyridin-4-ylsulfanylmethyl)thiophen-3-yl]methylsulfanyl]pyridine has a molecular weight of 330.50 g/mol, XLogP of 5.12, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(pyridin-4-ylsulfanylmethyl)thiophen-3-yl]methylsulfanyl]pyridine is sourced from PubChem (CID 139194632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).