2-[(E)-2-cyclohexylethenyl]sulfanylthiophene

C12H16S2 — CID 46702582

IUPAC2-[(E)-2-cyclohexylethenyl]sulfanylthiophene
SMILESC(=C/C1CCCCC1)\Sc1cccs1
InChIInChI=1S/C12H16S2/c1-2-5-11(6-3-1)8-10-14-12-7-4-9-13-12/h4,7-11H,1-3,5-6H2/b10-8+
InChIKeyCCDNKWFQKLINNQ-CSKARUKUSA-N
MW224.39 g/mol
LogP4.93
Rot. Bonds3

About 2-[(E)-2-cyclohexylethenyl]sulfanylthiophene

2-[(E)-2-cyclohexylethenyl]sulfanylthiophene (PubChem CID 46702582) has the molecular formula C12H16S2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 2-[(E)-2-cyclohexylethenyl]sulfanylthiophene.

Molecular Properties

Compound Name2-[(E)-2-cyclohexylethenyl]sulfanylthiophene
PubChem CID46702582
Molecular FormulaC12H16S2
Molecular Weight224.39 g/mol
Exact Mass224.07
IUPAC Name2-[(E)-2-cyclohexylethenyl]sulfanylthiophene
SMILESC(=C/C1CCCCC1)\Sc1cccs1
InChIInChI=1S/C12H16S2/c1-2-5-11(6-3-1)8-10-14-12-7-4-9-13-12/h4,7-11H,1-3,5-6H2/b10-8+
InChIKeyCCDNKWFQKLINNQ-CSKARUKUSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-cyclohexylethenyl]sulfanylthiophene?
The IUPAC name of 2-[(E)-2-cyclohexylethenyl]sulfanylthiophene (CID 46702582) is 2-[(E)-2-cyclohexylethenyl]sulfanylthiophene.
What is the SMILES notation for 2-[(E)-2-cyclohexylethenyl]sulfanylthiophene?
The canonical SMILES for 2-[(E)-2-cyclohexylethenyl]sulfanylthiophene is C(=C/C1CCCCC1)\Sc1cccs1.
What is the InChIKey of 2-[(E)-2-cyclohexylethenyl]sulfanylthiophene?
The InChIKey is CCDNKWFQKLINNQ-CSKARUKUSA-N. The full InChI is InChI=1S/C12H16S2/c1-2-5-11(6-3-1)8-10-14-12-7-4-9-13-12/h4,7-11H,1-3,5-6H2/b10-8+.
What are the key properties of 2-[(E)-2-cyclohexylethenyl]sulfanylthiophene?
2-[(E)-2-cyclohexylethenyl]sulfanylthiophene has a molecular weight of 224.39 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-cyclohexylethenyl]sulfanylthiophene is sourced from PubChem (CID 46702582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).