3-[(5-fluorothiophen-2-yl)methyl]-1H-imidazole-2-thione

C8H7FN2S2 — CID 14788188

IUPAC3-[(5-fluorothiophen-2-yl)methyl]-1H-imidazole-2-thione
SMILESFc1ccc(Cn2cc[nH]c2=S)s1
InChIInChI=1S/C8H7FN2S2/c9-7-2-1-6(13-7)5-11-4-3-10-8(11)12/h1-4H,5H2,(H,10,12)
InChIKeyVWZUKRWMFMTTRH-UHFFFAOYSA-N
MW214.29 g/mol
LogP2.79
Rot. Bonds2

About 3-[(5-fluorothiophen-2-yl)methyl]-1H-imidazole-2-thione

3-[(5-fluorothiophen-2-yl)methyl]-1H-imidazole-2-thione (PubChem CID 14788188) has the molecular formula C8H7FN2S2 and a molecular weight of 214.29 g/mol. Its IUPAC name is 3-[(5-fluorothiophen-2-yl)methyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[(5-fluorothiophen-2-yl)methyl]-1H-imidazole-2-thione
PubChem CID14788188
Molecular FormulaC8H7FN2S2
Molecular Weight214.29 g/mol
Exact Mass214.00
IUPAC Name3-[(5-fluorothiophen-2-yl)methyl]-1H-imidazole-2-thione
SMILESFc1ccc(Cn2cc[nH]c2=S)s1
InChIInChI=1S/C8H7FN2S2/c9-7-2-1-6(13-7)5-11-4-3-10-8(11)12/h1-4H,5H2,(H,10,12)
InChIKeyVWZUKRWMFMTTRH-UHFFFAOYSA-N
XLogP2.79
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-fluorothiophen-2-yl)methyl]-1H-imidazole-2-thione?
The IUPAC name of 3-[(5-fluorothiophen-2-yl)methyl]-1H-imidazole-2-thione (CID 14788188) is 3-[(5-fluorothiophen-2-yl)methyl]-1H-imidazole-2-thione.
What is the SMILES notation for 3-[(5-fluorothiophen-2-yl)methyl]-1H-imidazole-2-thione?
The canonical SMILES for 3-[(5-fluorothiophen-2-yl)methyl]-1H-imidazole-2-thione is Fc1ccc(Cn2cc[nH]c2=S)s1.
What is the InChIKey of 3-[(5-fluorothiophen-2-yl)methyl]-1H-imidazole-2-thione?
The InChIKey is VWZUKRWMFMTTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2S2/c9-7-2-1-6(13-7)5-11-4-3-10-8(11)12/h1-4H,5H2,(H,10,12).
What are the key properties of 3-[(5-fluorothiophen-2-yl)methyl]-1H-imidazole-2-thione?
3-[(5-fluorothiophen-2-yl)methyl]-1H-imidazole-2-thione has a molecular weight of 214.29 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-fluorothiophen-2-yl)methyl]-1H-imidazole-2-thione is sourced from PubChem (CID 14788188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).