[(E)-hex-2-en-2-yl]sulfanylbenzene

C12H16S — CID 12656133

IUPAC[(E)-hex-2-en-2-yl]sulfanylbenzene
SMILESCCC/C=C(\C)Sc1ccccc1
InChIInChI=1S/C12H16S/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h5-10H,3-4H2,1-2H3/b11-8+
InChIKeyJKWUPIBMSWOVOZ-DHZHZOJOSA-N
MW192.33 g/mol
LogP4.48
Rot. Bonds4

About [(E)-hex-2-en-2-yl]sulfanylbenzene

[(E)-hex-2-en-2-yl]sulfanylbenzene (PubChem CID 12656133) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is [(E)-hex-2-en-2-yl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-hex-2-en-2-yl]sulfanylbenzene
PubChem CID12656133
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name[(E)-hex-2-en-2-yl]sulfanylbenzene
SMILESCCC/C=C(\C)Sc1ccccc1
InChIInChI=1S/C12H16S/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h5-10H,3-4H2,1-2H3/b11-8+
InChIKeyJKWUPIBMSWOVOZ-DHZHZOJOSA-N
XLogP4.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.33
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of [(E)-hex-2-en-2-yl]sulfanylbenzene?
The IUPAC name of [(E)-hex-2-en-2-yl]sulfanylbenzene (CID 12656133) is [(E)-hex-2-en-2-yl]sulfanylbenzene.
What is the SMILES notation for [(E)-hex-2-en-2-yl]sulfanylbenzene?
The canonical SMILES for [(E)-hex-2-en-2-yl]sulfanylbenzene is CCC/C=C(\C)Sc1ccccc1.
What is the InChIKey of [(E)-hex-2-en-2-yl]sulfanylbenzene?
The InChIKey is JKWUPIBMSWOVOZ-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H16S/c1-3-4-8-11(2)13-12-9-6-5-7-10-12/h5-10H,3-4H2,1-2H3/b11-8+.
What are the key properties of [(E)-hex-2-en-2-yl]sulfanylbenzene?
[(E)-hex-2-en-2-yl]sulfanylbenzene has a molecular weight of 192.33 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-hex-2-en-2-yl]sulfanylbenzene is sourced from PubChem (CID 12656133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).