[4-methyl-3-(2-phenylethyl)phenyl]-oxido-oxo-sulfanylidene-λ6-sulfane

C15H15O2S2- — CID 19596037

IUPAC[4-methyl-3-(2-phenylethyl)phenyl]-oxido-oxo-sulfanylidene-λ6-sulfane
SMILESCc1ccc(S(=O)([O-])=S)cc1CCc1ccccc1
InChIInChI=1S/C15H16O2S2/c1-12-7-10-15(19(16,17)18)11-14(12)9-8-13-5-3-2-4-6-13/h2-7,10-11H,8-9H2,1H3,(H,16,17,18)/p-1
InChIKeyOUOPHCWRTODJFQ-UHFFFAOYSA-M
MW291.42 g/mol
LogP3.02
Rot. Bonds4

About [4-methyl-3-(2-phenylethyl)phenyl]-oxido-oxo-sulfanylidene-λ6-sulfane

[4-methyl-3-(2-phenylethyl)phenyl]-oxido-oxo-sulfanylidene-λ6-sulfane (PubChem CID 19596037) has the molecular formula C15H15O2S2- and a molecular weight of 291.42 g/mol. Its IUPAC name is [4-methyl-3-(2-phenylethyl)phenyl]-oxido-oxo-sulfanylidene-λ6-sulfane.

Molecular Properties

Compound Name[4-methyl-3-(2-phenylethyl)phenyl]-oxido-oxo-sulfanylidene-λ6-sulfane
PubChem CID19596037
Molecular FormulaC15H15O2S2-
Molecular Weight291.42 g/mol
Exact Mass291.05
IUPAC Name[4-methyl-3-(2-phenylethyl)phenyl]-oxido-oxo-sulfanylidene-λ6-sulfane
SMILESCc1ccc(S(=O)([O-])=S)cc1CCc1ccccc1
InChIInChI=1S/C15H16O2S2/c1-12-7-10-15(19(16,17)18)11-14(12)9-8-13-5-3-2-4-6-13/h2-7,10-11H,8-9H2,1H3,(H,16,17,18)/p-1
InChIKeyOUOPHCWRTODJFQ-UHFFFAOYSA-M
XLogP3.02
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

hydroxy-[4-methyl-3-(3-phenylpropyl)phenyl]-oxo-sulfanylidene-λ6-sulfane
CID 21222479
[4-methyl-3-(2-phenylethyl)phenyl]methanamine
CID 134425806
4-(benzenesulfonyl)-1-methyl-2-propylbenzene
CID 143209762
1-methyl-2-(2-phenylethyl)-4-propan-2-ylbenzene
CID 142112281
hydroxy-[4-methyl-3-(2-phenoxyethyl)phenyl]-oxo-sulfanylidene-lambda6-sulfane
CID 19596119
[3-(1,3-benzodioxol-5-ylmethyl)-4-methylphenyl]-oxido-oxo-sulfanylidene-λ6-sulfane
CID 21222641
3-chloro-4-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 3482248
2-(2-methylphenyl)-N-[4-(2-phenylethylsulfamoyl)phenyl]acetamide
CID 17145873
4-methyl-2-(2-phenylethyl)benzenesulfonic acid
CID 19769457
2,5-dimethyl-3-(2-phenylethyl)-1H-phosphole
CID 175179195
2,4-dimethyl-1-(2-phenylethyl)benzene;gold
CID 173364905
N-methyl-2-(2-methyl-5-methylsulfonylphenyl)ethanamine
CID 117327512

Frequently Asked Questions

What is the IUPAC name of [4-methyl-3-(2-phenylethyl)phenyl]-oxido-oxo-sulfanylidene-λ6-sulfane?
The IUPAC name of [4-methyl-3-(2-phenylethyl)phenyl]-oxido-oxo-sulfanylidene-λ6-sulfane (CID 19596037) is [4-methyl-3-(2-phenylethyl)phenyl]-oxido-oxo-sulfanylidene-λ6-sulfane.
What is the SMILES notation for [4-methyl-3-(2-phenylethyl)phenyl]-oxido-oxo-sulfanylidene-λ6-sulfane?
The canonical SMILES for [4-methyl-3-(2-phenylethyl)phenyl]-oxido-oxo-sulfanylidene-λ6-sulfane is Cc1ccc(S(=O)([O-])=S)cc1CCc1ccccc1.
What is the InChIKey of [4-methyl-3-(2-phenylethyl)phenyl]-oxido-oxo-sulfanylidene-λ6-sulfane?
The InChIKey is OUOPHCWRTODJFQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C15H16O2S2/c1-12-7-10-15(19(16,17)18)11-14(12)9-8-13-5-3-2-4-6-13/h2-7,10-11H,8-9H2,1H3,(H,16,17,18)/p-1.
What are the key properties of [4-methyl-3-(2-phenylethyl)phenyl]-oxido-oxo-sulfanylidene-λ6-sulfane?
[4-methyl-3-(2-phenylethyl)phenyl]-oxido-oxo-sulfanylidene-λ6-sulfane has a molecular weight of 291.42 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-3-(2-phenylethyl)phenyl]-oxido-oxo-sulfanylidene-λ6-sulfane is sourced from PubChem (CID 19596037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).