2,3-dihydro-1H-indolizin-4-ium-2-thiol;fluoroform

C9H11F3NS+ — CID 88671202

IUPAC2,3-dihydro-1H-indolizin-4-ium-2-thiol;fluoroform
SMILESFC(F)F.SC1Cc2cccc[n+]2C1
InChIInChI=1S/C8H9NS.CHF3/c10-8-5-7-3-1-2-4-9(7)6-8;2-1(3)4/h1-4,8H,5-6H2;1H/p+1
InChIKeyPRKJRPVVOSKKHK-UHFFFAOYSA-O
MW222.26 g/mol
LogP2.01
Rot. Bonds

About 2,3-dihydro-1H-indolizin-4-ium-2-thiol;fluoroform

2,3-dihydro-1H-indolizin-4-ium-2-thiol;fluoroform (PubChem CID 88671202) has the molecular formula C9H11F3NS+ and a molecular weight of 222.26 g/mol. Its IUPAC name is 2,3-dihydro-1H-indolizin-4-ium-2-thiol;fluoroform.

Molecular Properties

Compound Name2,3-dihydro-1H-indolizin-4-ium-2-thiol;fluoroform
PubChem CID88671202
Molecular FormulaC9H11F3NS+
Molecular Weight222.26 g/mol
Exact Mass222.06
IUPAC Name2,3-dihydro-1H-indolizin-4-ium-2-thiol;fluoroform
SMILESFC(F)F.SC1Cc2cccc[n+]2C1
InChIInChI=1S/C8H9NS.CHF3/c10-8-5-7-3-1-2-4-9(7)6-8;2-1(3)4/h1-4,8H,5-6H2;1H/p+1
InChIKeyPRKJRPVVOSKKHK-UHFFFAOYSA-O
XLogP2.01
TPSA3.88 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-indolizin-4-ium-2-thiol;fluoroform?
The IUPAC name of 2,3-dihydro-1H-indolizin-4-ium-2-thiol;fluoroform (CID 88671202) is 2,3-dihydro-1H-indolizin-4-ium-2-thiol;fluoroform.
What is the SMILES notation for 2,3-dihydro-1H-indolizin-4-ium-2-thiol;fluoroform?
The canonical SMILES for 2,3-dihydro-1H-indolizin-4-ium-2-thiol;fluoroform is FC(F)F.SC1Cc2cccc[n+]2C1.
What is the InChIKey of 2,3-dihydro-1H-indolizin-4-ium-2-thiol;fluoroform?
The InChIKey is PRKJRPVVOSKKHK-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9NS.CHF3/c10-8-5-7-3-1-2-4-9(7)6-8;2-1(3)4/h1-4,8H,5-6H2;1H/p+1.
What are the key properties of 2,3-dihydro-1H-indolizin-4-ium-2-thiol;fluoroform?
2,3-dihydro-1H-indolizin-4-ium-2-thiol;fluoroform has a molecular weight of 222.26 g/mol, XLogP of 2.01, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-indolizin-4-ium-2-thiol;fluoroform is sourced from PubChem (CID 88671202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).