5-(3-methylsulfanylpropyl)-2-sulfanylideneimidazolidin-4-one

C7H12N2OS2 — CID 103090618

IUPAC5-(3-methylsulfanylpropyl)-2-sulfanylideneimidazolidin-4-one
SMILESCSCCCC1NC(=S)NC1=O
InChIInChI=1S/C7H12N2OS2/c1-12-4-2-3-5-6(10)9-7(11)8-5/h5H,2-4H2,1H3,(H2,8,9,10,11)
InChIKeySMODQNWYWQHYIJ-UHFFFAOYSA-N
MW204.32 g/mol
LogP0.50
Rot. Bonds4

About 5-(3-methylsulfanylpropyl)-2-sulfanylideneimidazolidin-4-one

5-(3-methylsulfanylpropyl)-2-sulfanylideneimidazolidin-4-one (PubChem CID 103090618) has the molecular formula C7H12N2OS2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 5-(3-methylsulfanylpropyl)-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name5-(3-methylsulfanylpropyl)-2-sulfanylideneimidazolidin-4-one
PubChem CID103090618
Molecular FormulaC7H12N2OS2
Molecular Weight204.32 g/mol
Exact Mass204.04
IUPAC Name5-(3-methylsulfanylpropyl)-2-sulfanylideneimidazolidin-4-one
SMILESCSCCCC1NC(=S)NC1=O
InChIInChI=1S/C7H12N2OS2/c1-12-4-2-3-5-6(10)9-7(11)8-5/h5H,2-4H2,1H3,(H2,8,9,10,11)
InChIKeySMODQNWYWQHYIJ-UHFFFAOYSA-N
XLogP0.50
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5S)-5-butyl-2-sulfanylideneimidazolidin-4-one
CID 131856782
5-(5-aminopentyl)-2-sulfanylideneimidazolidin-4-one
CID 88519630
3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanamide
CID 5374221
methyl 2-[(4S)-5-oxo-2-sulfanylideneimidazolidin-4-yl]acetate
CID 130624280
5-methylidene-3,6-bis(2-methylsulfanylethyl)piperazin-2-one
CID 70648148
(5R)-5-butylimidazolidine-2,4-dione
CID 51416195
10-[3-(5-oxo-2-sulfanylideneimidazolidin-4-yl)propanoyloxy]decyl 2-methylprop-2-enoate
CID 146356521
(4S)-4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one
CID 129415860
4-(2-methylsulfanylethyl)-2-sulfanylidene-1,3-thiazolidin-5-one
CID 130006716
5-(3-methylsulfanylpropyl)cyclohexane-1,3-dione
CID 154149078
(5R)-5-(4-hydroxybutyl)imidazolidine-2,4-dione
CID 7000133
(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;5-[3-(dimethylamino)propyl]-2-sulfanylideneimidazolidin-4-one
CID 22854541

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylsulfanylpropyl)-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 5-(3-methylsulfanylpropyl)-2-sulfanylideneimidazolidin-4-one (CID 103090618) is 5-(3-methylsulfanylpropyl)-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 5-(3-methylsulfanylpropyl)-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 5-(3-methylsulfanylpropyl)-2-sulfanylideneimidazolidin-4-one is CSCCCC1NC(=S)NC1=O.
What is the InChIKey of 5-(3-methylsulfanylpropyl)-2-sulfanylideneimidazolidin-4-one?
The InChIKey is SMODQNWYWQHYIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2OS2/c1-12-4-2-3-5-6(10)9-7(11)8-5/h5H,2-4H2,1H3,(H2,8,9,10,11).
What are the key properties of 5-(3-methylsulfanylpropyl)-2-sulfanylideneimidazolidin-4-one?
5-(3-methylsulfanylpropyl)-2-sulfanylideneimidazolidin-4-one has a molecular weight of 204.32 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylsulfanylpropyl)-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 103090618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).