4-benzyl-5-sulfanyl-1,3-dihydroimidazole-2-thione

C10H10N2S2 — CID 54479449

IUPAC4-benzyl-5-sulfanyl-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]c(S)c(Cc2ccccc2)[nH]1
InChIInChI=1S/C10H10N2S2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-5,13H,6H2,(H2,11,12,14)
InChIKeyXNYMUXJQGWYODR-UHFFFAOYSA-N
MW222.34 g/mol
LogP2.95
Rot. Bonds2

About 4-benzyl-5-sulfanyl-1,3-dihydroimidazole-2-thione

4-benzyl-5-sulfanyl-1,3-dihydroimidazole-2-thione (PubChem CID 54479449) has the molecular formula C10H10N2S2 and a molecular weight of 222.34 g/mol. Its IUPAC name is 4-benzyl-5-sulfanyl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-benzyl-5-sulfanyl-1,3-dihydroimidazole-2-thione
PubChem CID54479449
Molecular FormulaC10H10N2S2
Molecular Weight222.34 g/mol
Exact Mass222.03
IUPAC Name4-benzyl-5-sulfanyl-1,3-dihydroimidazole-2-thione
SMILESS=c1[nH]c(S)c(Cc2ccccc2)[nH]1
InChIInChI=1S/C10H10N2S2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-5,13H,6H2,(H2,11,12,14)
InChIKeyXNYMUXJQGWYODR-UHFFFAOYSA-N
XLogP2.95
TPSA31.58 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.34
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-benzyl-1,3-dihydrobenzimidazole-2-thione
CID 21269540
phenyl(113C)methylbenzene
CID 11194569
1-benzyl-2H-imidazo[1,5-a]pyridine-3-thione
CID 24966439
5-benzyl-2,4-diphenyl-1H-imidazole
CID 175414335
CID 162321965
CID 162321965
1,4-bis(4-benzylphenyl)benzene
CID 58251041
2-benzyl-1H-indol-3-amine
CID 67876324
1,3-dibenzyl-2H-benzo[f]isoindole-4,9-dione
CID 15466853
potassium;benzylbenzene;hydride
CID 173011788
1,4-dibenzylbenzene;ethane
CID 91406396
1-benzyl-4-[(4-benzylphenyl)methyl]benzene;1,4-dibenzylbenzene;ethane
CID 158067654
4,5-dibenzyl-2-methyl-1H-imidazol-3-ium chloride
CID 161123999

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-sulfanyl-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-benzyl-5-sulfanyl-1,3-dihydroimidazole-2-thione (CID 54479449) is 4-benzyl-5-sulfanyl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-benzyl-5-sulfanyl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-benzyl-5-sulfanyl-1,3-dihydroimidazole-2-thione is S=c1[nH]c(S)c(Cc2ccccc2)[nH]1.
What is the InChIKey of 4-benzyl-5-sulfanyl-1,3-dihydroimidazole-2-thione?
The InChIKey is XNYMUXJQGWYODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S2/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-5,13H,6H2,(H2,11,12,14).
What are the key properties of 4-benzyl-5-sulfanyl-1,3-dihydroimidazole-2-thione?
4-benzyl-5-sulfanyl-1,3-dihydroimidazole-2-thione has a molecular weight of 222.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-sulfanyl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 54479449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).