(4,5-dimethoxy-2-methylphenyl) thiohypofluorite

C9H11FO2S — CID 144923776

IUPAC(4,5-dimethoxy-2-methylphenyl) thiohypofluorite
SMILESCOc1cc(C)c(SF)cc1OC
InChIInChI=1S/C9H11FO2S/c1-6-4-7(11-2)8(12-3)5-9(6)13-10/h4-5H,1-3H3
InChIKeyTYGXSCKVVLZVPS-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.99
Rot. Bonds3

About (4,5-dimethoxy-2-methylphenyl) thiohypofluorite

(4,5-dimethoxy-2-methylphenyl) thiohypofluorite (PubChem CID 144923776) has the molecular formula C9H11FO2S and a molecular weight of 202.25 g/mol. Its IUPAC name is (4,5-dimethoxy-2-methylphenyl) thiohypofluorite.

Molecular Properties

Compound Name(4,5-dimethoxy-2-methylphenyl) thiohypofluorite
PubChem CID144923776
Molecular FormulaC9H11FO2S
Molecular Weight202.25 g/mol
Exact Mass202.05
IUPAC Name(4,5-dimethoxy-2-methylphenyl) thiohypofluorite
SMILESCOc1cc(C)c(SF)cc1OC
InChIInChI=1S/C9H11FO2S/c1-6-4-7(11-2)8(12-3)5-9(6)13-10/h4-5H,1-3H3
InChIKeyTYGXSCKVVLZVPS-UHFFFAOYSA-N
XLogP2.99
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 ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(ethoxymethylsulfanyl)-4,5-dimethoxy-2-methylbenzene
CID 86790511
1-methoxy-4-methoxysulfanyl-2,5-dimethylbenzene
CID 117035950
1,4-dimethoxy-2,5-dimethylbenzene;dihydrochloride
CID 172845974
ethane;1-methoxy-2,4,5-trimethylbenzene
CID 143418687
4,5-dimethoxy-2-methylbenzenethiol
CID 43626828
1,4-dimethoxy-2,5-bis(methylsulfanyl)benzene
CID 2802745
2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroethanol
CID 105424343
2-(4,5-dimethoxy-2-methylphenyl)-2-fluoroacetaldehyde
CID 105465798
(2-methoxy-4,5-dimethylphenyl)sulfanylmethanol
CID 117033384
3,4-difluoro-1-methoxy-2-methyl-5-methylsulfanylbenzene
CID 164895356
4,5-dimethoxy-2-methylbenzenesulfonyl fluoride
CID 82475781
1,2-difluoro-4,5-dimethoxybenzene
CID 853175

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethoxy-2-methylphenyl) thiohypofluorite?
The IUPAC name of (4,5-dimethoxy-2-methylphenyl) thiohypofluorite (CID 144923776) is (4,5-dimethoxy-2-methylphenyl) thiohypofluorite.
What is the SMILES notation for (4,5-dimethoxy-2-methylphenyl) thiohypofluorite?
The canonical SMILES for (4,5-dimethoxy-2-methylphenyl) thiohypofluorite is COc1cc(C)c(SF)cc1OC.
What is the InChIKey of (4,5-dimethoxy-2-methylphenyl) thiohypofluorite?
The InChIKey is TYGXSCKVVLZVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO2S/c1-6-4-7(11-2)8(12-3)5-9(6)13-10/h4-5H,1-3H3.
What are the key properties of (4,5-dimethoxy-2-methylphenyl) thiohypofluorite?
(4,5-dimethoxy-2-methylphenyl) thiohypofluorite has a molecular weight of 202.25 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethoxy-2-methylphenyl) thiohypofluorite is sourced from PubChem (CID 144923776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).