ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene

C18H26OS — CID 91610736

IUPACethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
SMILESCC.CC.Cc1ccc(S(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14OS.2C2H6/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14;2*1-2/h3-10H,1-2H3;2*1-2H3
InChIKeyWNZJJROCVNPBIQ-UHFFFAOYSA-N
MW290.47 g/mol
LogP5.52
Rot. Bonds2

About ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene

ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene (PubChem CID 91610736) has the molecular formula C18H26OS and a molecular weight of 290.47 g/mol. Its IUPAC name is ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene.

Molecular Properties

Compound Nameethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
PubChem CID91610736
Molecular FormulaC18H26OS
Molecular Weight290.47 g/mol
Exact Mass290.17
IUPAC Nameethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene
SMILESCC.CC.Cc1ccc(S(=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C14H14OS.2C2H6/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14;2*1-2/h3-10H,1-2H3;2*1-2H3
InChIKeyWNZJJROCVNPBIQ-UHFFFAOYSA-N
XLogP5.52
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.47
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(4-methylphenyl)sulfinyl-1H-pyrrole
CID 12674770
3-(4-methylphenyl)sulfinylpyridine
CID 10512966
[4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone
CID 11450048
2-amino-4-(4-methylphenyl)sulfinylphenol
CID 70533370
(R)-4-methylbenzenesulfinyl chloride
CID 98048897
CID 10314154
CID 10314154
1,4-dimethyl-2-(4-methylphenyl)sulfinylbenzene
CID 165348232
CID 11594983
CID 11594983
cadmium(2+);bis(4-methylbenzenesulfinate)
CID 139758343
barium(2+);bis(4-methylbenzenesulfinate)
CID 87486582
4-methylbenzenesulfinic acid;tetrahydrate
CID 155656454
1-[(R)-cyclopenten-1-ylsulfinyl]-4-methylbenzene
CID 11074563

Frequently Asked Questions

What is the IUPAC name of ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene?
The IUPAC name of ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene (CID 91610736) is ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene.
What is the SMILES notation for ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene?
The canonical SMILES for ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene is CC.CC.Cc1ccc(S(=O)c2ccc(C)cc2)cc1.
What is the InChIKey of ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene?
The InChIKey is WNZJJROCVNPBIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14OS.2C2H6/c1-11-3-7-13(8-4-11)16(15)14-9-5-12(2)6-10-14;2*1-2/h3-10H,1-2H3;2*1-2H3.
What are the key properties of ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene?
ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene has a molecular weight of 290.47 g/mol, XLogP of 5.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-methyl-4-(4-methylphenyl)sulfinylbenzene is sourced from PubChem (CID 91610736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).