[(Z)-hex-3-en-3-yl]sulfanylbenzene

C12H16S — CID 14935081

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

About [(Z)-hex-3-en-3-yl]sulfanylbenzene

[(Z)-hex-3-en-3-yl]sulfanylbenzene (PubChem CID 14935081) has the molecular formula C12H16S and a molecular weight of 192.33 g/mol. Its IUPAC name is [(Z)-hex-3-en-3-yl]sulfanylbenzene.

Molecular Properties

Compound Name[(Z)-hex-3-en-3-yl]sulfanylbenzene
PubChem CID14935081
Molecular FormulaC12H16S
Molecular Weight192.33 g/mol
Exact Mass192.10
IUPAC Name[(Z)-hex-3-en-3-yl]sulfanylbenzene
SMILESCC/C=C(/CC)Sc1ccccc1
InChIInChI=1S/C12H16S/c1-3-8-11(4-2)13-12-9-6-5-7-10-12/h5-10H,3-4H2,1-2H3/b11-8-
InChIKeyDAAIXLZABYHGPO-FLIBITNWSA-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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Related Compounds

[(E)-non-4-en-4-yl]sulfanylbenzene
CID 177448686
(E)-1-phenyl-2-phenylsulfanylpent-2-en-1-one
CID 11254187
[(Z)-nonadec-9-en-9-yl]sulfanylbenzene
CID 100973714
[(E)-tridec-6-en-6-yl]sulfanylbenzene
CID 102371655
tributyl-[(Z)-1-phenylsulfanylbut-1-enyl]stannane
CID 177466862
methyl 2-ethyl-2-methyl-4-phenylsulfanylhex-3-enoate
CID 71411000
[(Z)-hept-2-en-2-yl]sulfanylbenzene
CID 101384616
[(E)-4-fluorohex-3-en-3-yl]sulfanylbenzene
CID 14792832
5-phenylsulfanyloct-4-en-4-ylsulfanylbenzene
CID 71368870
N,N-dimethyl-2,3-bis(phenylsulfanyl)prop-2-en-1-amine
CID 5246314
3-methylsulfanylhex-3-ene
CID 141088508
[(1Z,6Z)-1,6,7-tris(phenylsulfanyl)hepta-1,6-dien-2-yl]sulfanylbenzene
CID 11364539

Frequently Asked Questions

What is the IUPAC name of [(Z)-hex-3-en-3-yl]sulfanylbenzene?
The IUPAC name of [(Z)-hex-3-en-3-yl]sulfanylbenzene (CID 14935081) is [(Z)-hex-3-en-3-yl]sulfanylbenzene.
What is the SMILES notation for [(Z)-hex-3-en-3-yl]sulfanylbenzene?
The canonical SMILES for [(Z)-hex-3-en-3-yl]sulfanylbenzene is CC/C=C(/CC)Sc1ccccc1.
What is the InChIKey of [(Z)-hex-3-en-3-yl]sulfanylbenzene?
The InChIKey is DAAIXLZABYHGPO-FLIBITNWSA-N. The full InChI is InChI=1S/C12H16S/c1-3-8-11(4-2)13-12-9-6-5-7-10-12/h5-10H,3-4H2,1-2H3/b11-8-.
What are the key properties of [(Z)-hex-3-en-3-yl]sulfanylbenzene?
[(Z)-hex-3-en-3-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 [(Z)-hex-3-en-3-yl]sulfanylbenzene is sourced from PubChem (CID 14935081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).