1,4-dimethoxy-2-phenylsulfanylbenzene

C14H14O2S — CID 13167171

IUPAC1,4-dimethoxy-2-phenylsulfanylbenzene
SMILESCOc1ccc(OC)c(Sc2ccccc2)c1
InChIInChI=1S/C14H14O2S/c1-15-11-8-9-13(16-2)14(10-11)17-12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyWKFNQSFSKDFFOJ-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.86
Rot. Bonds4

About 1,4-dimethoxy-2-phenylsulfanylbenzene

1,4-dimethoxy-2-phenylsulfanylbenzene (PubChem CID 13167171) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1,4-dimethoxy-2-phenylsulfanylbenzene.

Molecular Properties

Compound Name1,4-dimethoxy-2-phenylsulfanylbenzene
PubChem CID13167171
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name1,4-dimethoxy-2-phenylsulfanylbenzene
SMILESCOc1ccc(OC)c(Sc2ccccc2)c1
InChIInChI=1S/C14H14O2S/c1-15-11-8-9-13(16-2)14(10-11)17-12-6-4-3-5-7-12/h3-10H,1-2H3
InChIKeyWKFNQSFSKDFFOJ-UHFFFAOYSA-N
XLogP3.86
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Phenoxathiin
CID 9217
1-Methoxy-2-(phenylsulfonyl)benzene
CID 640912
2,5-Dimethoxybenzenesulfonyl chloride
CID 137025
Benzene, 1-methoxy-2-(methylthio)-
CID 137577
3-Methoxythioanisole
CID 281182
Bis(4-methoxyphenyl) sulfoxide
CID 238614
2,5-Dimethoxythiophenol
CID 519009
1-Methanesulfinyl-3-methoxybenzene
CID 13479555
2-Methoxy-phenoxathiine 10,10-dioxide
CID 10587547
2-Ethoxy-phenoxathiine 10,10-dioxide
CID 10850054
Benzene, 1-methoxy-4-(phenylthio)-
CID 138547
Benzene, 1-methoxy-3-(phenylthio)-
CID 141586

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethoxy-2-phenylsulfanylbenzene?
The IUPAC name of 1,4-dimethoxy-2-phenylsulfanylbenzene (CID 13167171) is 1,4-dimethoxy-2-phenylsulfanylbenzene.
What is the SMILES notation for 1,4-dimethoxy-2-phenylsulfanylbenzene?
The canonical SMILES for 1,4-dimethoxy-2-phenylsulfanylbenzene is COc1ccc(OC)c(Sc2ccccc2)c1.
What is the InChIKey of 1,4-dimethoxy-2-phenylsulfanylbenzene?
The InChIKey is WKFNQSFSKDFFOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-15-11-8-9-13(16-2)14(10-11)17-12-6-4-3-5-7-12/h3-10H,1-2H3.
What are the key properties of 1,4-dimethoxy-2-phenylsulfanylbenzene?
1,4-dimethoxy-2-phenylsulfanylbenzene has a molecular weight of 246.33 g/mol, XLogP of 3.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethoxy-2-phenylsulfanylbenzene is sourced from PubChem (CID 13167171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).