1-fluoro-2-(4-methoxyphenyl)sulfanylbenzene

C13H11FOS — CID 132938615

IUPAC1-fluoro-2-(4-methoxyphenyl)sulfanylbenzene
SMILESCOc1ccc(Sc2ccccc2F)cc1
InChIInChI=1S/C13H11FOS/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h2-9H,1H3
InChIKeyMVCRBWUWSMMAFN-UHFFFAOYSA-N
MW234.29 g/mol
LogP3.99
Rot. Bonds3

About 1-fluoro-2-(4-methoxyphenyl)sulfanylbenzene

1-fluoro-2-(4-methoxyphenyl)sulfanylbenzene (PubChem CID 132938615) has the molecular formula C13H11FOS and a molecular weight of 234.29 g/mol. Its IUPAC name is 1-fluoro-2-(4-methoxyphenyl)sulfanylbenzene.

Molecular Properties

Compound Name1-fluoro-2-(4-methoxyphenyl)sulfanylbenzene
PubChem CID132938615
Molecular FormulaC13H11FOS
Molecular Weight234.29 g/mol
Exact Mass234.05
IUPAC Name1-fluoro-2-(4-methoxyphenyl)sulfanylbenzene
SMILESCOc1ccc(Sc2ccccc2F)cc1
InChIInChI=1S/C13H11FOS/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h2-9H,1H3
InChIKeyMVCRBWUWSMMAFN-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.29
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-Methoxybenzenethiol
CID 12765
1-Methoxy-2-(phenylsulfonyl)benzene
CID 640912
1-Methoxy-4-(methylthio)benzene
CID 15885
Benzene, 1-methoxy-4-(methylsulfonyl)-
CID 137966
1-Iodo-4-[(4-methoxyphenyl)sulfanylmethyl]benzene
CID 65489349
Bis(4-methoxyphenyl) disulfide
CID 79258
Benzene, 1-methoxy-2-(methylthio)-
CID 137577
3-Methoxythioanisole
CID 281182
2-(4-Phenoxyphenyl)sulfanylethyl thiocyanate
CID 10779667
Bis(4-methoxyphenyl) sulfone
CID 238615
Bis(4-methoxyphenyl) sulfoxide
CID 238614
Thiocyanic acid, 4-methoxyphenyl ester
CID 1277672

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(4-methoxyphenyl)sulfanylbenzene?
The IUPAC name of 1-fluoro-2-(4-methoxyphenyl)sulfanylbenzene (CID 132938615) is 1-fluoro-2-(4-methoxyphenyl)sulfanylbenzene.
What is the SMILES notation for 1-fluoro-2-(4-methoxyphenyl)sulfanylbenzene?
The canonical SMILES for 1-fluoro-2-(4-methoxyphenyl)sulfanylbenzene is COc1ccc(Sc2ccccc2F)cc1.
What is the InChIKey of 1-fluoro-2-(4-methoxyphenyl)sulfanylbenzene?
The InChIKey is MVCRBWUWSMMAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FOS/c1-15-10-6-8-11(9-7-10)16-13-5-3-2-4-12(13)14/h2-9H,1H3.
What are the key properties of 1-fluoro-2-(4-methoxyphenyl)sulfanylbenzene?
1-fluoro-2-(4-methoxyphenyl)sulfanylbenzene has a molecular weight of 234.29 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(4-methoxyphenyl)sulfanylbenzene is sourced from PubChem (CID 132938615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).