3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione

C8H8N2S2 — CID 10198071

IUPAC3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1Cc1cccs1
InChIInChI=1S/C8H8N2S2/c11-8-9-3-4-10(8)6-7-2-1-5-12-7/h1-5H,6H2,(H,9,11)
InChIKeyLUZIZYOYWXEFRG-UHFFFAOYSA-N
MW196.30 g/mol
LogP2.66
Rot. Bonds2

About 3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione

3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione (PubChem CID 10198071) has the molecular formula C8H8N2S2 and a molecular weight of 196.30 g/mol. Its IUPAC name is 3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione.

Molecular Properties

Compound Name3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione
PubChem CID10198071
Molecular FormulaC8H8N2S2
Molecular Weight196.30 g/mol
Exact Mass196.01
IUPAC Name3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione
SMILESS=c1[nH]ccn1Cc1cccs1
InChIInChI=1S/C8H8N2S2/c11-8-9-3-4-10(8)6-7-2-1-5-12-7/h1-5H,6H2,(H,9,11)
InChIKeyLUZIZYOYWXEFRG-UHFFFAOYSA-N
XLogP2.66
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 52.66
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

N-isopropyl-N'-(2-thienylmethyl)thiourea
CID 972147
1-(2-Thiophen-2-yl-ethyl)-1,3-dihydro-imidazole-2-thione
CID 10176689
1-(3-Thiophen-2-yl-propyl)-1,3-dihydro-imidazole-2-thione
CID 14403247
1-(5-Chloro-thiophen-2-ylmethyl)-1,3-dihydro-imidazole-2-thione
CID 14788187
N-(2-Thienylmethyl)hydrazinecarbothioamide
CID 676437
1-(2-Thiophen-3-yl-ethyl)-1,3-dihydro-imidazole-2-thione
CID 14788196
1-[2-(5-Methyl-thiophen-2-yl)-ethyl]-1,3-dihydro-imidazole-2-thione
CID 14788197
1-(5-Methyl-thiophen-2-ylmethyl)-1,3-dihydro-imidazole-2-thione
CID 14788186
4-(5-Methylthiophen-2-yl)-1,3-dihydroimidazole-2-thione
CID 25142950
4-(4-Methylthiophen-2-yl)-1,3-dihydroimidazole-2-thione
CID 25142954
1-(5-Fluoro-thiophen-2-ylmethyl)-1,3-dihydro-imidazole-2-thione
CID 14788188
1-(4-Thiophen-2-yl-butyl)-1,3-dihydro-imidazole-2-thione
CID 14788198

Frequently Asked Questions

What is the IUPAC name of 3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione?
The IUPAC name of 3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione (CID 10198071) is 3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione.
What is the SMILES notation for 3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione?
The canonical SMILES for 3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione is S=c1[nH]ccn1Cc1cccs1.
What is the InChIKey of 3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione?
The InChIKey is LUZIZYOYWXEFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2S2/c11-8-9-3-4-10(8)6-7-2-1-5-12-7/h1-5H,6H2,(H,9,11).
What are the key properties of 3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione?
3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione has a molecular weight of 196.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(thiophen-2-ylmethyl)-1H-imidazole-2-thione is sourced from PubChem (CID 10198071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).