3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene

C9H11FO2S — CID 130784452

IUPAC3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene
SMILESCOc1ccc(SC)c(F)c1OC
InChIInChI=1S/C9H11FO2S/c1-11-6-4-5-7(13-3)8(10)9(6)12-2/h4-5H,1-3H3
InChIKeyQKIBTTUZYPIEMC-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.56
Rot. Bonds3

About 3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene

3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene (PubChem CID 130784452) has the molecular formula C9H11FO2S and a molecular weight of 202.25 g/mol. Its IUPAC name is 3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene.

Molecular Properties

Compound Name3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene
PubChem CID130784452
Molecular FormulaC9H11FO2S
Molecular Weight202.25 g/mol
Exact Mass202.05
IUPAC Name3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene
SMILESCOc1ccc(SC)c(F)c1OC
InChIInChI=1S/C9H11FO2S/c1-11-6-4-5-7(13-3)8(10)9(6)12-2/h4-5H,1-3H3
InChIKeyQKIBTTUZYPIEMC-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

1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
2-fluoro-3,4-dimethoxybenzenethiol
CID 130971498
2-fluoro-1-methoxy-3-methylsulfanylbenzene
CID 91881055
1-chloro-2-fluoro-3-methoxy-4-methylsulfanylbenzene
CID 164893202
1,2,3-trimethoxy-4-[(2,3,4-trimethoxyphenyl)trisulfanyl]benzene
CID 172733350
1-(2-fluoro-3,4-dimethoxyphenyl)propan-2-ol
CID 117305462
2-fluoro-3,4-dimethoxybenzenesulfonyl chloride
CID 84708317
2-fluoro-3,4-dimethoxybenzoyl chloride
CID 130787078
1-bromo-3,4-dimethoxy-2-methylsulfanylbenzene
CID 15692127
2-(2-fluoro-3,4-dimethoxyphenyl)-2-oxoacetic acid
CID 117328183
3-fluoro-1,2-dimethoxy-4-prop-2-enylbenzene
CID 13487722
1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene?
The IUPAC name of 3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene (CID 130784452) is 3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene.
What is the SMILES notation for 3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene?
The canonical SMILES for 3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene is COc1ccc(SC)c(F)c1OC.
What is the InChIKey of 3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene?
The InChIKey is QKIBTTUZYPIEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2S/c1-11-6-4-5-7(13-3)8(10)9(6)12-2/h4-5H,1-3H3.
What are the key properties of 3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene?
3-fluoro-1,2-dimethoxy-4-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 3-fluoro-1,2-dimethoxy-4-methylsulfanylbenzene is sourced from PubChem (CID 130784452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).