methyl 3-fluorosulfanyl-5-hydroxybenzoate

C8H7FO3S — CID 155781808

IUPACmethyl 3-fluorosulfanyl-5-hydroxybenzoate
SMILESCOC(=O)c1cc(O)cc(SF)c1
InChIInChI=1S/C8H7FO3S/c1-12-8(11)5-2-6(10)4-7(3-5)13-9/h2-4,10H,1H3
InChIKeyIXHUDZCATIYMHT-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.16
Rot. Bonds2

About methyl 3-fluorosulfanyl-5-hydroxybenzoate

methyl 3-fluorosulfanyl-5-hydroxybenzoate (PubChem CID 155781808) has the molecular formula C8H7FO3S and a molecular weight of 202.21 g/mol. Its IUPAC name is methyl 3-fluorosulfanyl-5-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 3-fluorosulfanyl-5-hydroxybenzoate
PubChem CID155781808
Molecular FormulaC8H7FO3S
Molecular Weight202.21 g/mol
Exact Mass202.01
IUPAC Namemethyl 3-fluorosulfanyl-5-hydroxybenzoate
SMILESCOC(=O)c1cc(O)cc(SF)c1
InChIInChI=1S/C8H7FO3S/c1-12-8(11)5-2-6(10)4-7(3-5)13-9/h2-4,10H,1H3
InChIKeyIXHUDZCATIYMHT-UHFFFAOYSA-N
XLogP2.16
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-fluorosulfanyl-5-hydroxybenzoate?
The IUPAC name of methyl 3-fluorosulfanyl-5-hydroxybenzoate (CID 155781808) is methyl 3-fluorosulfanyl-5-hydroxybenzoate.
What is the SMILES notation for methyl 3-fluorosulfanyl-5-hydroxybenzoate?
The canonical SMILES for methyl 3-fluorosulfanyl-5-hydroxybenzoate is COC(=O)c1cc(O)cc(SF)c1.
What is the InChIKey of methyl 3-fluorosulfanyl-5-hydroxybenzoate?
The InChIKey is IXHUDZCATIYMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FO3S/c1-12-8(11)5-2-6(10)4-7(3-5)13-9/h2-4,10H,1H3.
What are the key properties of methyl 3-fluorosulfanyl-5-hydroxybenzoate?
methyl 3-fluorosulfanyl-5-hydroxybenzoate has a molecular weight of 202.21 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-fluorosulfanyl-5-hydroxybenzoate is sourced from PubChem (CID 155781808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).