4-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dihydroimidazole-2-thione

C11H14N2S2 — CID 25143097

IUPAC4-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dihydroimidazole-2-thione
SMILESCC(C)Cc1ccc(-c2c[nH]c(=S)[nH]2)s1
InChIInChI=1S/C11H14N2S2/c1-7(2)5-8-3-4-10(15-8)9-6-12-11(14)13-9/h3-4,6-7H,5H2,1-2H3,(H2,12,13,14)
InChIKeyHDDFKUSTJQLNAP-UHFFFAOYSA-N
MW238.38 g/mol
LogP4.00
Rot. Bonds3

About 4-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dihydroimidazole-2-thione

4-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dihydroimidazole-2-thione (PubChem CID 25143097) has the molecular formula C11H14N2S2 and a molecular weight of 238.38 g/mol. Its IUPAC name is 4-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dihydroimidazole-2-thione
PubChem CID25143097
Molecular FormulaC11H14N2S2
Molecular Weight238.38 g/mol
Exact Mass238.06
IUPAC Name4-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dihydroimidazole-2-thione
SMILESCC(C)Cc1ccc(-c2c[nH]c(=S)[nH]2)s1
InChIInChI=1S/C11H14N2S2/c1-7(2)5-8-3-4-10(15-8)9-6-12-11(14)13-9/h3-4,6-7H,5H2,1-2H3,(H2,12,13,14)
InChIKeyHDDFKUSTJQLNAP-UHFFFAOYSA-N
XLogP4.00
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.38
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chlorophenyl)-5-(2-methylpropyl)thiophene
CID 169286654
3-[1-(5-methylthiophen-2-yl)propan-2-yl]-4-propan-2-yl-1H-imidazole-2-thione
CID 64864928
4-(5-ethylthiophen-2-yl)-3H-1,3-oxazole-2-thione
CID 106799053
5-(2-methylpropyl)-3H-1,3-thiazol-2-one
CID 123486048
5-[5-(2-methylpropyl)thiophen-2-yl]pentan-2-ol
CID 143591547
4-(5-fluoro-2-pyridinyl)-1,3-dihydroimidazole-2-thione
CID 83128948
2-(2-methylpropyl)-5-prop-1-ynylthiophene
CID 155068654
2-(2-methyl-1H-inden-4-yl)-5-(2-methylpropyl)thiophene
CID 173192414
2-(3-methylbut-1-ynyl)-5-(2-methylpropyl)thiophene
CID 59470907
4-methyl-1,3-dihydroimidazole-2-thione;molecular hydrogen
CID 143389017
CID 59645358
CID 59645358
4-(3-ethylphenyl)-1,3-dihydroimidazole-2-thione
CID 25124599

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dihydroimidazole-2-thione (CID 25143097) is 4-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dihydroimidazole-2-thione is CC(C)Cc1ccc(-c2c[nH]c(=S)[nH]2)s1.
What is the InChIKey of 4-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dihydroimidazole-2-thione?
The InChIKey is HDDFKUSTJQLNAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2S2/c1-7(2)5-8-3-4-10(15-8)9-6-12-11(14)13-9/h3-4,6-7H,5H2,1-2H3,(H2,12,13,14).
What are the key properties of 4-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dihydroimidazole-2-thione?
4-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dihydroimidazole-2-thione has a molecular weight of 238.38 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methylpropyl)thiophen-2-yl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 25143097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).