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

C10H12N2S2 — CID 106005743

IUPAC3-[(5-ethylthiophen-2-yl)methyl]-1H-imidazole-2-thione
SMILESCCc1ccc(Cn2cc[nH]c2=S)s1
InChIInChI=1S/C10H12N2S2/c1-2-8-3-4-9(14-8)7-12-6-5-11-10(12)13/h3-6H,2,7H2,1H3,(H,11,13)
InChIKeyATHSRWPFRCVIAC-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.22
Rot. Bonds3

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

3-[(5-ethylthiophen-2-yl)methyl]-1H-imidazole-2-thione (PubChem CID 106005743) has the molecular formula C10H12N2S2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 3-[(5-ethylthiophen-2-yl)methyl]-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-[(5-ethylthiophen-2-yl)methyl]-1H-imidazole-2-thione
PubChem CID106005743
Molecular FormulaC10H12N2S2
Molecular Weight224.35 g/mol
Exact Mass224.04
IUPAC Name3-[(5-ethylthiophen-2-yl)methyl]-1H-imidazole-2-thione
SMILESCCc1ccc(Cn2cc[nH]c2=S)s1
InChIInChI=1S/C10H12N2S2/c1-2-8-3-4-9(14-8)7-12-6-5-11-10(12)13/h3-6H,2,7H2,1H3,(H,11,13)
InChIKeyATHSRWPFRCVIAC-UHFFFAOYSA-N
XLogP3.22
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-diethylthiophene
CID 521294
4-tert-butyl-3-[(5-ethylthiophen-2-yl)methyl]-1H-imidazole-2-thione
CID 106006013
3-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1H-imidazole-2-thione
CID 106374484
4-[(5-ethylthiophen-2-yl)methyl]-5-sulfanylidene-1,2,4-triazolidin-3-one
CID 106006024
1-[(5-ethylthiophen-2-yl)methyl]pyrrole
CID 63810482
3-[2-(5-chlorothiophen-2-yl)ethyl]-1H-imidazole-2-thione
CID 15671179
1-[(5-ethylthiophen-2-yl)methyl]-3-propylimidazol-2-one
CID 116624713
N-[[1-[(5-ethylthiophen-2-yl)methyl]-2-methylpyrrol-3-yl]methyl]ethanamine
CID 114196031
1-[(5-ethylthiophen-2-yl)methyl]-2H-tetrazole-5-thione
CID 106005973
3-[(3-chlorothiophen-2-yl)methyl]-1H-imidazole-2-thione
CID 100932082
1-[(5-ethylthiophen-2-yl)methyl]-4-methylpyridin-2-one
CID 116622558
N-ethyl-1-[1-[(5-ethylthiophen-2-yl)methyl]pyrrol-2-yl]ethanamine
CID 79102565

Frequently Asked Questions

What is the IUPAC name of 3-[(5-ethylthiophen-2-yl)methyl]-1H-imidazole-2-thione?
The IUPAC name of 3-[(5-ethylthiophen-2-yl)methyl]-1H-imidazole-2-thione (CID 106005743) is 3-[(5-ethylthiophen-2-yl)methyl]-1H-imidazole-2-thione.
What is the SMILES notation for 3-[(5-ethylthiophen-2-yl)methyl]-1H-imidazole-2-thione?
The canonical SMILES for 3-[(5-ethylthiophen-2-yl)methyl]-1H-imidazole-2-thione is CCc1ccc(Cn2cc[nH]c2=S)s1.
What is the InChIKey of 3-[(5-ethylthiophen-2-yl)methyl]-1H-imidazole-2-thione?
The InChIKey is ATHSRWPFRCVIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2S2/c1-2-8-3-4-9(14-8)7-12-6-5-11-10(12)13/h3-6H,2,7H2,1H3,(H,11,13).
What are the key properties of 3-[(5-ethylthiophen-2-yl)methyl]-1H-imidazole-2-thione?
3-[(5-ethylthiophen-2-yl)methyl]-1H-imidazole-2-thione has a molecular weight of 224.35 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-ethylthiophen-2-yl)methyl]-1H-imidazole-2-thione is sourced from PubChem (CID 106005743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).