[cyclopenta-2,4-dien-1-yl(phenyl)methyl]sulfanylbenzene

C18H16S — CID 12713629

IUPAC[cyclopenta-2,4-dien-1-yl(phenyl)methyl]sulfanylbenzene
SMILESC1=CC(C(Sc2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C18H16S/c1-3-9-15(10-4-1)18(16-11-7-8-12-16)19-17-13-5-2-6-14-17/h1-14,16,18H
InChIKeyPGZHOOBCDCYPBN-UHFFFAOYSA-N
MW264.39 g/mol
LogP5.26
Rot. Bonds4

About [cyclopenta-2,4-dien-1-yl(phenyl)methyl]sulfanylbenzene

[cyclopenta-2,4-dien-1-yl(phenyl)methyl]sulfanylbenzene (PubChem CID 12713629) has the molecular formula C18H16S and a molecular weight of 264.39 g/mol. Its IUPAC name is [cyclopenta-2,4-dien-1-yl(phenyl)methyl]sulfanylbenzene.

Molecular Properties

Compound Name[cyclopenta-2,4-dien-1-yl(phenyl)methyl]sulfanylbenzene
PubChem CID12713629
Molecular FormulaC18H16S
Molecular Weight264.39 g/mol
Exact Mass264.10
IUPAC Name[cyclopenta-2,4-dien-1-yl(phenyl)methyl]sulfanylbenzene
SMILESC1=CC(C(Sc2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C18H16S/c1-3-9-15(10-4-1)18(16-11-7-8-12-16)19-17-13-5-2-6-14-17/h1-14,16,18H
InChIKeyPGZHOOBCDCYPBN-UHFFFAOYSA-N
XLogP5.26
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.39
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[chloro(phenyl)methyl]sulfanylbenzene
CID 12914700
phenyl(phenylsulfanyl)methanethiol
CID 54438170
(6R)-6-[phenyl(phenylsulfanyl)methyl]oxan-2-one
CID 18597523
(2R)-2-[(S)-phenyl(phenylsulfanyl)methyl]-2H-acenaphthylen-1-one
CID 35581029
(2-cyclopenta-2,4-dien-1-yl-2-phenylethyl)-dimethylphosphane
CID 10977286
1-phenylprop-2-ynylsulfanylbenzene
CID 101226284
[[phenyl(phenylsulfanyl)methyl]sulfonyl-phenylsulfanylmethyl]benzene
CID 57348808
2-phenyl-2-phenylsulfanylethanol
CID 11264720
cycloprop-2-en-1-yl(triphenyl)phosphanium
CID 3452771
9-[cyclopenta-2,4-dien-1-yl(phenyl)methyl]-9H-fluorene
CID 58097745
1-fluoro-4-[(R)-phenyl(phenylsulfanyl)methyl]benzene
CID 134849362
(2S)-2-phenyl-2-phenylsulfanylacetate
CID 7345805

Frequently Asked Questions

What is the IUPAC name of [cyclopenta-2,4-dien-1-yl(phenyl)methyl]sulfanylbenzene?
The IUPAC name of [cyclopenta-2,4-dien-1-yl(phenyl)methyl]sulfanylbenzene (CID 12713629) is [cyclopenta-2,4-dien-1-yl(phenyl)methyl]sulfanylbenzene.
What is the SMILES notation for [cyclopenta-2,4-dien-1-yl(phenyl)methyl]sulfanylbenzene?
The canonical SMILES for [cyclopenta-2,4-dien-1-yl(phenyl)methyl]sulfanylbenzene is C1=CC(C(Sc2ccccc2)c2ccccc2)C=C1.
What is the InChIKey of [cyclopenta-2,4-dien-1-yl(phenyl)methyl]sulfanylbenzene?
The InChIKey is PGZHOOBCDCYPBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16S/c1-3-9-15(10-4-1)18(16-11-7-8-12-16)19-17-13-5-2-6-14-17/h1-14,16,18H.
What are the key properties of [cyclopenta-2,4-dien-1-yl(phenyl)methyl]sulfanylbenzene?
[cyclopenta-2,4-dien-1-yl(phenyl)methyl]sulfanylbenzene has a molecular weight of 264.39 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [cyclopenta-2,4-dien-1-yl(phenyl)methyl]sulfanylbenzene is sourced from PubChem (CID 12713629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).