5-prop-1-enylimidazolidine-2,4-dithione

C6H8N2S2 — CID 131861436

IUPAC5-prop-1-enylimidazolidine-2,4-dithione
SMILESCC=CC1NC(=S)NC1=S
InChIInChI=1S/C6H8N2S2/c1-2-3-4-5(9)8-6(10)7-4/h2-4H,1H3,(H2,7,8,9,10)
InChIKeyHLDBCAXXPHPKGZ-UHFFFAOYSA-N
MW172.28 g/mol
LogP0.74
Rot. Bonds1

About 5-prop-1-enylimidazolidine-2,4-dithione

5-prop-1-enylimidazolidine-2,4-dithione (PubChem CID 131861436) has the molecular formula C6H8N2S2 and a molecular weight of 172.28 g/mol. Its IUPAC name is 5-prop-1-enylimidazolidine-2,4-dithione.

Molecular Properties

Compound Name5-prop-1-enylimidazolidine-2,4-dithione
PubChem CID131861436
Molecular FormulaC6H8N2S2
Molecular Weight172.28 g/mol
Exact Mass172.01
IUPAC Name5-prop-1-enylimidazolidine-2,4-dithione
SMILESCC=CC1NC(=S)NC1=S
InChIInChI=1S/C6H8N2S2/c1-2-3-4-5(9)8-6(10)7-4/h2-4H,1H3,(H2,7,8,9,10)
InChIKeyHLDBCAXXPHPKGZ-UHFFFAOYSA-N
XLogP0.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione
CID 2850154
1-[(4R)-6-methyl-4-[(E)-2-phenylethenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]ethanone
CID 838332
5-acetyl-2-sulfanylideneimidazolidin-4-one
CID 87931135
5-[4-(dimethylamino)phenyl]imidazolidine-2,4-dithione
CID 3057431
6-ethylidene-1,3,5-triazinane-2,4-dithione
CID 118963300
ethane;5-methyl-2-sulfanylideneimidazolidin-4-one
CID 142805949
(4R)-6-(4-methoxyphenyl)-4-phenyl-3,4-dihydro-1H-pyrimidine-2-thione
CID 7261039
6-methyl-2-sulfanylidene-1,3-diazinan-4-one
CID 3431792
4-ethenyl-5-[(3E)-hexa-1,3,5-trien-3-yl]-3-[(Z)-prop-1-enyl]-2,3-dihydro-1H-pyrazole
CID 144588793
methyl (4S)-6-tert-butyl-4-[(E)-2-(4-methylphenyl)ethenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 155511027
2-methoxyethyl (4S)-6-methyl-4-[(E)-2-phenylethenyl]-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 7428409
2-prop-1-enyl-1,3-thiazolidin-4-one
CID 142636139

Frequently Asked Questions

What is the IUPAC name of 5-prop-1-enylimidazolidine-2,4-dithione?
The IUPAC name of 5-prop-1-enylimidazolidine-2,4-dithione (CID 131861436) is 5-prop-1-enylimidazolidine-2,4-dithione.
What is the SMILES notation for 5-prop-1-enylimidazolidine-2,4-dithione?
The canonical SMILES for 5-prop-1-enylimidazolidine-2,4-dithione is CC=CC1NC(=S)NC1=S.
What is the InChIKey of 5-prop-1-enylimidazolidine-2,4-dithione?
The InChIKey is HLDBCAXXPHPKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S2/c1-2-3-4-5(9)8-6(10)7-4/h2-4H,1H3,(H2,7,8,9,10).
What are the key properties of 5-prop-1-enylimidazolidine-2,4-dithione?
5-prop-1-enylimidazolidine-2,4-dithione has a molecular weight of 172.28 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-enylimidazolidine-2,4-dithione is sourced from PubChem (CID 131861436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).