1,3-bis(4-ethenylphenyl)-4,5-bis(sulfanyl)imidazole-2-thione

C19H16N2S3 — CID 169074226

IUPAC1,3-bis(4-ethenylphenyl)-4,5-bis(sulfanyl)imidazole-2-thione
SMILESC=Cc1ccc(-n2c(S)c(S)n(-c3ccc(C=C)cc3)c2=S)cc1
InChIInChI=1S/C19H16N2S3/c1-3-13-5-9-15(10-6-13)20-17(22)18(23)21(19(20)24)16-11-7-14(4-2)8-12-16/h3-12,22-23H,1-2H2
InChIKeySGRDCWWXSNQFMA-UHFFFAOYSA-N
MW368.55 g/mol
LogP5.86
Rot. Bonds4

About 1,3-bis(4-ethenylphenyl)-4,5-bis(sulfanyl)imidazole-2-thione

1,3-bis(4-ethenylphenyl)-4,5-bis(sulfanyl)imidazole-2-thione (PubChem CID 169074226) has the molecular formula C19H16N2S3 and a molecular weight of 368.55 g/mol. Its IUPAC name is 1,3-bis(4-ethenylphenyl)-4,5-bis(sulfanyl)imidazole-2-thione.

Molecular Properties

Compound Name1,3-bis(4-ethenylphenyl)-4,5-bis(sulfanyl)imidazole-2-thione
PubChem CID169074226
Molecular FormulaC19H16N2S3
Molecular Weight368.55 g/mol
Exact Mass368.05
IUPAC Name1,3-bis(4-ethenylphenyl)-4,5-bis(sulfanyl)imidazole-2-thione
SMILESC=Cc1ccc(-n2c(S)c(S)n(-c3ccc(C=C)cc3)c2=S)cc1
InChIInChI=1S/C19H16N2S3/c1-3-13-5-9-15(10-6-13)20-17(22)18(23)21(19(20)24)16-11-7-14(4-2)8-12-16/h3-12,22-23H,1-2H2
InChIKeySGRDCWWXSNQFMA-UHFFFAOYSA-N
XLogP5.86
TPSA9.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.55
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-ethenylphenyl)-4,5-bis(sulfanyl)imidazole-2-thione?
The IUPAC name of 1,3-bis(4-ethenylphenyl)-4,5-bis(sulfanyl)imidazole-2-thione (CID 169074226) is 1,3-bis(4-ethenylphenyl)-4,5-bis(sulfanyl)imidazole-2-thione.
What is the SMILES notation for 1,3-bis(4-ethenylphenyl)-4,5-bis(sulfanyl)imidazole-2-thione?
The canonical SMILES for 1,3-bis(4-ethenylphenyl)-4,5-bis(sulfanyl)imidazole-2-thione is C=Cc1ccc(-n2c(S)c(S)n(-c3ccc(C=C)cc3)c2=S)cc1.
What is the InChIKey of 1,3-bis(4-ethenylphenyl)-4,5-bis(sulfanyl)imidazole-2-thione?
The InChIKey is SGRDCWWXSNQFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2S3/c1-3-13-5-9-15(10-6-13)20-17(22)18(23)21(19(20)24)16-11-7-14(4-2)8-12-16/h3-12,22-23H,1-2H2.
What are the key properties of 1,3-bis(4-ethenylphenyl)-4,5-bis(sulfanyl)imidazole-2-thione?
1,3-bis(4-ethenylphenyl)-4,5-bis(sulfanyl)imidazole-2-thione has a molecular weight of 368.55 g/mol, XLogP of 5.86, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-ethenylphenyl)-4,5-bis(sulfanyl)imidazole-2-thione is sourced from PubChem (CID 169074226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).