1-(2-methylsulfanyl-2-methylsulfinylethenyl)-3-phenoxybenzene

C16H16O2S2 — CID 54558564

IUPAC1-(2-methylsulfanyl-2-methylsulfinylethenyl)-3-phenoxybenzene
SMILESCSC(=Cc1cccc(Oc2ccccc2)c1)S(C)=O
InChIInChI=1S/C16H16O2S2/c1-19-16(20(2)17)12-13-7-6-10-15(11-13)18-14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKeyZOXUVNDKWBRLCZ-UHFFFAOYSA-N
MW304.44 g/mol
LogP4.52
Rot. Bonds5

About 1-(2-methylsulfanyl-2-methylsulfinylethenyl)-3-phenoxybenzene

1-(2-methylsulfanyl-2-methylsulfinylethenyl)-3-phenoxybenzene (PubChem CID 54558564) has the molecular formula C16H16O2S2 and a molecular weight of 304.44 g/mol. Its IUPAC name is 1-(2-methylsulfanyl-2-methylsulfinylethenyl)-3-phenoxybenzene.

Molecular Properties

Compound Name1-(2-methylsulfanyl-2-methylsulfinylethenyl)-3-phenoxybenzene
PubChem CID54558564
Molecular FormulaC16H16O2S2
Molecular Weight304.44 g/mol
Exact Mass304.06
IUPAC Name1-(2-methylsulfanyl-2-methylsulfinylethenyl)-3-phenoxybenzene
SMILESCSC(=Cc1cccc(Oc2ccccc2)c1)S(C)=O
InChIInChI=1S/C16H16O2S2/c1-19-16(20(2)17)12-13-7-6-10-15(11-13)18-14-8-4-3-5-9-14/h3-12H,1-2H3
InChIKeyZOXUVNDKWBRLCZ-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,1'-(Ethane-1,2-diylbis(oxy))bis(3-methylbenzene)
CID 97354
3-Phenoxytoluene
CID 19165
1-methoxy-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 14954814
1-methoxy-3-[(Z)-2-(4-methoxyphenyl)ethenyl]benzene
CID 44428189
7-(3-Benzyloxy-phenyl)-heptanesulfonyl fluoride
CID 25017345
Benzene, 1,3-dimethyl-5-phenoxy-
CID 117541
Di-m-tolyl ether
CID 89573
Benzene, 1-methyl-3-(4-methylphenoxy)-
CID 103971
1-Methoxy-4-((((4-methoxyphenyl)methyl)disulfanyl)methyl)benzene
CID 6422463
1-Methoxy-4-[3-[(4-methoxyphenyl)methyldisulfanyl]prop-2-enylsulfanylmethyl]benzene
CID 70687330
2-[4-phenoxy-2-[(E)-prop-1-enyl]phenoxy]ethyl thiocyanate
CID 10859896
1-[3-(Benzyldisulfanyl)prop-2-enylsulfinylmethyl]-4-methoxybenzene
CID 70683085

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanyl-2-methylsulfinylethenyl)-3-phenoxybenzene?
The IUPAC name of 1-(2-methylsulfanyl-2-methylsulfinylethenyl)-3-phenoxybenzene (CID 54558564) is 1-(2-methylsulfanyl-2-methylsulfinylethenyl)-3-phenoxybenzene.
What is the SMILES notation for 1-(2-methylsulfanyl-2-methylsulfinylethenyl)-3-phenoxybenzene?
The canonical SMILES for 1-(2-methylsulfanyl-2-methylsulfinylethenyl)-3-phenoxybenzene is CSC(=Cc1cccc(Oc2ccccc2)c1)S(C)=O.
What is the InChIKey of 1-(2-methylsulfanyl-2-methylsulfinylethenyl)-3-phenoxybenzene?
The InChIKey is ZOXUVNDKWBRLCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2S2/c1-19-16(20(2)17)12-13-7-6-10-15(11-13)18-14-8-4-3-5-9-14/h3-12H,1-2H3.
What are the key properties of 1-(2-methylsulfanyl-2-methylsulfinylethenyl)-3-phenoxybenzene?
1-(2-methylsulfanyl-2-methylsulfinylethenyl)-3-phenoxybenzene has a molecular weight of 304.44 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanyl-2-methylsulfinylethenyl)-3-phenoxybenzene is sourced from PubChem (CID 54558564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).