(1-ethyl-6-fluoroindol-3-yl)methanethiol

C11H12FNS — CID 117179129

IUPAC(1-ethyl-6-fluoroindol-3-yl)methanethiol
SMILESCCn1cc(CS)c2ccc(F)cc21
InChIInChI=1S/C11H12FNS/c1-2-13-6-8(7-14)10-4-3-9(12)5-11(10)13/h3-6,14H,2,7H2,1H3
InChIKeyWLOZJCQUYRLWJZ-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.23
Rot. Bonds2

About (1-ethyl-6-fluoroindol-3-yl)methanethiol

(1-ethyl-6-fluoroindol-3-yl)methanethiol (PubChem CID 117179129) has the molecular formula C11H12FNS and a molecular weight of 209.29 g/mol. Its IUPAC name is (1-ethyl-6-fluoroindol-3-yl)methanethiol.

Molecular Properties

Compound Name(1-ethyl-6-fluoroindol-3-yl)methanethiol
PubChem CID117179129
Molecular FormulaC11H12FNS
Molecular Weight209.29 g/mol
Exact Mass209.07
IUPAC Name(1-ethyl-6-fluoroindol-3-yl)methanethiol
SMILESCCn1cc(CS)c2ccc(F)cc21
InChIInChI=1S/C11H12FNS/c1-2-13-6-8(7-14)10-4-3-9(12)5-11(10)13/h3-6,14H,2,7H2,1H3
InChIKeyWLOZJCQUYRLWJZ-UHFFFAOYSA-N
XLogP3.23
TPSA4.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-ethyl-6-fluoroindol-3-yl)methanethiol?
The IUPAC name of (1-ethyl-6-fluoroindol-3-yl)methanethiol (CID 117179129) is (1-ethyl-6-fluoroindol-3-yl)methanethiol.
What is the SMILES notation for (1-ethyl-6-fluoroindol-3-yl)methanethiol?
The canonical SMILES for (1-ethyl-6-fluoroindol-3-yl)methanethiol is CCn1cc(CS)c2ccc(F)cc21.
What is the InChIKey of (1-ethyl-6-fluoroindol-3-yl)methanethiol?
The InChIKey is WLOZJCQUYRLWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNS/c1-2-13-6-8(7-14)10-4-3-9(12)5-11(10)13/h3-6,14H,2,7H2,1H3.
What are the key properties of (1-ethyl-6-fluoroindol-3-yl)methanethiol?
(1-ethyl-6-fluoroindol-3-yl)methanethiol has a molecular weight of 209.29 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-6-fluoroindol-3-yl)methanethiol is sourced from PubChem (CID 117179129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).