2-(5-fluoro-2-methyl-4-pyridinyl)propane-2-thiol

C9H12FNS — CID 155261702

IUPAC2-(5-fluoro-2-methyl-4-pyridinyl)propane-2-thiol
SMILESCc1cc(C(C)(C)S)c(F)cn1
InChIInChI=1S/C9H12FNS/c1-6-4-7(9(2,3)12)8(10)5-11-6/h4-5,12H,1-3H3
InChIKeyHHZWIKJLZMVBQH-UHFFFAOYSA-N
MW185.27 g/mol
LogP2.69
Rot. Bonds1

About 2-(5-fluoro-2-methyl-4-pyridinyl)propane-2-thiol

2-(5-fluoro-2-methyl-4-pyridinyl)propane-2-thiol (PubChem CID 155261702) has the molecular formula C9H12FNS and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(5-fluoro-2-methyl-4-pyridinyl)propane-2-thiol.

Molecular Properties

Compound Name2-(5-fluoro-2-methyl-4-pyridinyl)propane-2-thiol
PubChem CID155261702
Molecular FormulaC9H12FNS
Molecular Weight185.27 g/mol
Exact Mass185.07
IUPAC Name2-(5-fluoro-2-methyl-4-pyridinyl)propane-2-thiol
SMILESCc1cc(C(C)(C)S)c(F)cn1
InChIInChI=1S/C9H12FNS/c1-6-4-7(9(2,3)12)8(10)5-11-6/h4-5,12H,1-3H3
InChIKeyHHZWIKJLZMVBQH-UHFFFAOYSA-N
XLogP2.69
TPSA12.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5-fluoro-2-methylpyridine;hydrobromide
CID 170998578
4-ethenyl-5-fluoro-2-methylpyridine
CID 74889088
6,7-difluoro-3-methylisoquinoline
CID 20616781
5-tert-butyl-2-methylpyridin-4-amine
CID 155095882
2-tert-butyl-5-fluoro-4-methylpyridine
CID 59286667
ethane;5-fluoro-2-methyl-4-(methylsulfanylmethyl)pyridine
CID 143715565
2-tert-butyl-5-fluoropyridin-4-amine
CID 155709241
4-fluoro-5-isocyano-2-methylpyridine
CID 87413452
4-tert-butyl-5-ethynyl-2-methylpyridine
CID 177108892
4-tert-butyl-3-fluoro-6-methylpyridazine
CID 146377377
5-fluoro-N-methyl-4-(trifluoromethyl)pyridin-2-amine
CID 178093287
7,8-difluoro-3-methylisoquinoline
CID 169499830

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-methyl-4-pyridinyl)propane-2-thiol?
The IUPAC name of 2-(5-fluoro-2-methyl-4-pyridinyl)propane-2-thiol (CID 155261702) is 2-(5-fluoro-2-methyl-4-pyridinyl)propane-2-thiol.
What is the SMILES notation for 2-(5-fluoro-2-methyl-4-pyridinyl)propane-2-thiol?
The canonical SMILES for 2-(5-fluoro-2-methyl-4-pyridinyl)propane-2-thiol is Cc1cc(C(C)(C)S)c(F)cn1.
What is the InChIKey of 2-(5-fluoro-2-methyl-4-pyridinyl)propane-2-thiol?
The InChIKey is HHZWIKJLZMVBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNS/c1-6-4-7(9(2,3)12)8(10)5-11-6/h4-5,12H,1-3H3.
What are the key properties of 2-(5-fluoro-2-methyl-4-pyridinyl)propane-2-thiol?
2-(5-fluoro-2-methyl-4-pyridinyl)propane-2-thiol has a molecular weight of 185.27 g/mol, XLogP of 2.69, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-methyl-4-pyridinyl)propane-2-thiol is sourced from PubChem (CID 155261702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).