1-(6-fluoro-1-methylindazol-3-yl)ethanethiol

C10H11FN2S — CID 129081896

IUPAC1-(6-fluoro-1-methylindazol-3-yl)ethanethiol
SMILESCC(S)c1nn(C)c2cc(F)ccc12
InChIInChI=1S/C10H11FN2S/c1-6(14)10-8-4-3-7(11)5-9(8)13(2)12-10/h3-6,14H,1-2H3
InChIKeyUEKUUGKHZCIQNC-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.70
Rot. Bonds1

About 1-(6-fluoro-1-methylindazol-3-yl)ethanethiol

1-(6-fluoro-1-methylindazol-3-yl)ethanethiol (PubChem CID 129081896) has the molecular formula C10H11FN2S and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(6-fluoro-1-methylindazol-3-yl)ethanethiol.

Molecular Properties

Compound Name1-(6-fluoro-1-methylindazol-3-yl)ethanethiol
PubChem CID129081896
Molecular FormulaC10H11FN2S
Molecular Weight210.28 g/mol
Exact Mass210.06
IUPAC Name1-(6-fluoro-1-methylindazol-3-yl)ethanethiol
SMILESCC(S)c1nn(C)c2cc(F)ccc12
InChIInChI=1S/C10H11FN2S/c1-6(14)10-8-4-3-7(11)5-9(8)13(2)12-10/h3-6,14H,1-2H3
InChIKeyUEKUUGKHZCIQNC-UHFFFAOYSA-N
XLogP2.70
TPSA17.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-methylindazol-3-yl)ethanethiol?
The IUPAC name of 1-(6-fluoro-1-methylindazol-3-yl)ethanethiol (CID 129081896) is 1-(6-fluoro-1-methylindazol-3-yl)ethanethiol.
What is the SMILES notation for 1-(6-fluoro-1-methylindazol-3-yl)ethanethiol?
The canonical SMILES for 1-(6-fluoro-1-methylindazol-3-yl)ethanethiol is CC(S)c1nn(C)c2cc(F)ccc12.
What is the InChIKey of 1-(6-fluoro-1-methylindazol-3-yl)ethanethiol?
The InChIKey is UEKUUGKHZCIQNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2S/c1-6(14)10-8-4-3-7(11)5-9(8)13(2)12-10/h3-6,14H,1-2H3.
What are the key properties of 1-(6-fluoro-1-methylindazol-3-yl)ethanethiol?
1-(6-fluoro-1-methylindazol-3-yl)ethanethiol has a molecular weight of 210.28 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-methylindazol-3-yl)ethanethiol is sourced from PubChem (CID 129081896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).