(4-methyl-2-phenylsulfanylcyclopenten-1-yl)sulfanylbenzene

C18H18S2 — CID 24977178

IUPAC(4-methyl-2-phenylsulfanylcyclopenten-1-yl)sulfanylbenzene
SMILESCC1CC(Sc2ccccc2)=C(Sc2ccccc2)C1
InChIInChI=1S/C18H18S2/c1-14-12-17(19-15-8-4-2-5-9-15)18(13-14)20-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3
InChIKeyWLYPRRWKBBWVNR-UHFFFAOYSA-N
MW298.48 g/mol
LogP6.21
Rot. Bonds4

About (4-methyl-2-phenylsulfanylcyclopenten-1-yl)sulfanylbenzene

(4-methyl-2-phenylsulfanylcyclopenten-1-yl)sulfanylbenzene (PubChem CID 24977178) has the molecular formula C18H18S2 and a molecular weight of 298.48 g/mol. Its IUPAC name is (4-methyl-2-phenylsulfanylcyclopenten-1-yl)sulfanylbenzene.

Molecular Properties

Compound Name(4-methyl-2-phenylsulfanylcyclopenten-1-yl)sulfanylbenzene
PubChem CID24977178
Molecular FormulaC18H18S2
Molecular Weight298.48 g/mol
Exact Mass298.08
IUPAC Name(4-methyl-2-phenylsulfanylcyclopenten-1-yl)sulfanylbenzene
SMILESCC1CC(Sc2ccccc2)=C(Sc2ccccc2)C1
InChIInChI=1S/C18H18S2/c1-14-12-17(19-15-8-4-2-5-9-15)18(13-14)20-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3
InChIKeyWLYPRRWKBBWVNR-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.48
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,5R)-2,5-dimethyl-3-phenylsulfanylcyclopent-2-en-1-ol
CID 131843099
1,4-bis(phenylsulfanyl)benzene;ethane;tritiomethane
CID 158378208
CID 66690055
CID 66690055
methoxymethane;phenylsulfanylbenzene
CID 175087336
3-methyl-4-phenylsulfanyl-2,5-dihydrothiophene 1,1-dioxide
CID 13380169
methane;2-methyl-2,3-dihydro-1H-indene
CID 142040721
1-methyl-4-(2-phenylsulfanylcyclobuten-1-yl)benzene
CID 10377541
1-(4-phenylsulfanylphenyl)adamantane
CID 118102997
(5R,6R)-6-ethyl-7-oxo-3-phenylsulfanyl-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 14782597
phenylsulfanylbenzene;thiane
CID 67766829
N-(4-acetyl-2-phenylsulfanylcyclohexen-1-yl)acetamide
CID 10779804
4-[4-[4-[4-(4-phenylsulfanylphenyl)sulfanylphenyl]sulfanylphenyl]sulfanylphenyl]sulfanylbenzenethiol
CID 102317381

Frequently Asked Questions

What is the IUPAC name of (4-methyl-2-phenylsulfanylcyclopenten-1-yl)sulfanylbenzene?
The IUPAC name of (4-methyl-2-phenylsulfanylcyclopenten-1-yl)sulfanylbenzene (CID 24977178) is (4-methyl-2-phenylsulfanylcyclopenten-1-yl)sulfanylbenzene.
What is the SMILES notation for (4-methyl-2-phenylsulfanylcyclopenten-1-yl)sulfanylbenzene?
The canonical SMILES for (4-methyl-2-phenylsulfanylcyclopenten-1-yl)sulfanylbenzene is CC1CC(Sc2ccccc2)=C(Sc2ccccc2)C1.
What is the InChIKey of (4-methyl-2-phenylsulfanylcyclopenten-1-yl)sulfanylbenzene?
The InChIKey is WLYPRRWKBBWVNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18S2/c1-14-12-17(19-15-8-4-2-5-9-15)18(13-14)20-16-10-6-3-7-11-16/h2-11,14H,12-13H2,1H3.
What are the key properties of (4-methyl-2-phenylsulfanylcyclopenten-1-yl)sulfanylbenzene?
(4-methyl-2-phenylsulfanylcyclopenten-1-yl)sulfanylbenzene has a molecular weight of 298.48 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methyl-2-phenylsulfanylcyclopenten-1-yl)sulfanylbenzene is sourced from PubChem (CID 24977178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).