(5-fluoro-1H-indol-3-yl)methanethiol

C9H8FNS — CID 117175254

IUPAC(5-fluoro-1H-indol-3-yl)methanethiol
SMILESFc1ccc2[nH]cc(CS)c2c1
InChIInChI=1S/C9H8FNS/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-4,11-12H,5H2
InChIKeyRZRIGUMJJYTKJX-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.74
Rot. Bonds1

About (5-fluoro-1H-indol-3-yl)methanethiol

(5-fluoro-1H-indol-3-yl)methanethiol (PubChem CID 117175254) has the molecular formula C9H8FNS and a molecular weight of 181.23 g/mol. Its IUPAC name is (5-fluoro-1H-indol-3-yl)methanethiol.

Molecular Properties

Compound Name(5-fluoro-1H-indol-3-yl)methanethiol
PubChem CID117175254
Molecular FormulaC9H8FNS
Molecular Weight181.23 g/mol
Exact Mass181.04
IUPAC Name(5-fluoro-1H-indol-3-yl)methanethiol
SMILESFc1ccc2[nH]cc(CS)c2c1
InChIInChI=1S/C9H8FNS/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-4,11-12H,5H2
InChIKeyRZRIGUMJJYTKJX-UHFFFAOYSA-N
XLogP2.74
TPSA15.79 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[(2S)-1-(5-fluoro-1H-indol-3-yl)propan-2-yl]azanium
CID 6921756
CID 58748813
CID 58748813
N-[1,1,1-trifluoro-3-(5-fluoro-1H-indol-3-yl)propan-2-ylidene]hydroxylamine
CID 76655437
triethyl-[2-(5-fluoro-1H-indol-3-yl)ethyl]azanium
CID 170545416
3-(5-fluoro-1H-indol-3-yl)propanoic acid
CID 10899794
N-[(5-fluoro-1H-indol-3-yl)methyl]propan-2-amine
CID 83776084
1-(5-fluoro-1H-indol-3-yl)butan-2-amine
CID 118713118
1-(5-fluoro-1H-indol-3-yl)-N-methylpropan-2-amine
CID 117195576
5-fluoro-1H-indol-3-ol
CID 90083452
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82493570
N-[(5-fluoro-1H-indol-3-yl)methyl]cyclopentanamine
CID 117174955
2-[2-(5-fluoro-1H-indol-3-yl)ethyl]guanidine;hydroiodide
CID 111424482

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1H-indol-3-yl)methanethiol?
The IUPAC name of (5-fluoro-1H-indol-3-yl)methanethiol (CID 117175254) is (5-fluoro-1H-indol-3-yl)methanethiol.
What is the SMILES notation for (5-fluoro-1H-indol-3-yl)methanethiol?
The canonical SMILES for (5-fluoro-1H-indol-3-yl)methanethiol is Fc1ccc2[nH]cc(CS)c2c1.
What is the InChIKey of (5-fluoro-1H-indol-3-yl)methanethiol?
The InChIKey is RZRIGUMJJYTKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNS/c10-7-1-2-9-8(3-7)6(5-12)4-11-9/h1-4,11-12H,5H2.
What are the key properties of (5-fluoro-1H-indol-3-yl)methanethiol?
(5-fluoro-1H-indol-3-yl)methanethiol has a molecular weight of 181.23 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1H-indol-3-yl)methanethiol is sourced from PubChem (CID 117175254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).