2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene

C9H11FO2S — CID 130925961

IUPAC2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene
SMILESCOc1cc(SC)cc(OC)c1F
InChIInChI=1S/C9H11FO2S/c1-11-7-4-6(13-3)5-8(12-2)9(7)10/h4-5H,1-3H3
InChIKeyWZYIVDBBAQQWSP-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.56
Rot. Bonds3

About 2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene

2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene (PubChem CID 130925961) has the molecular formula C9H11FO2S and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene.

Molecular Properties

Compound Name2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene
PubChem CID130925961
Molecular FormulaC9H11FO2S
Molecular Weight202.25 g/mol
Exact Mass202.05
IUPAC Name2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene
SMILESCOc1cc(SC)cc(OC)c1F
InChIInChI=1S/C9H11FO2S/c1-11-7-4-6(13-3)5-8(12-2)9(7)10/h4-5H,1-3H3
InChIKeyWZYIVDBBAQQWSP-UHFFFAOYSA-N
XLogP2.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-1-iodo-3-methoxy-5-methylsulfanylbenzene
CID 171367916
(2-fluoro-3-methoxy-5-methylsulfanylphenyl)boronic acid
CID 163353758
2-methoxy-4-methylsulfanylphenol
CID 11423824
1-methoxy-7-methyl-3-methylsulfanylnaphthalene
CID 134416852
1-(2,6-dimethoxy-4-methylsulfanylphenyl)propan-2-amine
CID 11300389
1-methoxy-4-methylsulfanyl-2-(trifluoromethoxy)benzene
CID 170999445
CID 87823096
CID 87823096
(2-iodo-3-methoxy-5-methylsulfanylphenyl) trifluoromethanesulfonate
CID 177414534
1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745
2-methoxy-4-methylsulfanylbenzonitrile
CID 91881052
1-ethoxy-2-fluoro-3-methyl-5-methylsulfanylbenzene
CID 164892495
methyl 2-amino-3-methoxy-5-methylsulfanylbenzoate
CID 107367702

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene?
The IUPAC name of 2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene (CID 130925961) is 2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene.
What is the SMILES notation for 2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene?
The canonical SMILES for 2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene is COc1cc(SC)cc(OC)c1F.
What is the InChIKey of 2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene?
The InChIKey is WZYIVDBBAQQWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2S/c1-11-7-4-6(13-3)5-8(12-2)9(7)10/h4-5H,1-3H3.
What are the key properties of 2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene?
2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene has a molecular weight of 202.25 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1,3-dimethoxy-5-methylsulfanylbenzene is sourced from PubChem (CID 130925961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).