3-propyl-2-sulfanylideneimidazolidin-4-one

C6H10N2OS — CID 4769895

IUPAC3-propyl-2-sulfanylideneimidazolidin-4-one
SMILESCCCN1C(=O)CNC1=S
InChIInChI=1S/C6H10N2OS/c1-2-3-8-5(9)4-7-6(8)10/h2-4H2,1H3,(H,7,10)
InChIKeyIHKDRPOYGQYGPI-UHFFFAOYSA-N
MW158.23 g/mol
LogP0.11
Rot. Bonds2

About 3-propyl-2-sulfanylideneimidazolidin-4-one

3-propyl-2-sulfanylideneimidazolidin-4-one (PubChem CID 4769895) has the molecular formula C6H10N2OS and a molecular weight of 158.23 g/mol. Its IUPAC name is 3-propyl-2-sulfanylideneimidazolidin-4-one.

Molecular Properties

Compound Name3-propyl-2-sulfanylideneimidazolidin-4-one
PubChem CID4769895
Molecular FormulaC6H10N2OS
Molecular Weight158.23 g/mol
Exact Mass158.05
IUPAC Name3-propyl-2-sulfanylideneimidazolidin-4-one
SMILESCCCN1C(=O)CNC1=S
InChIInChI=1S/C6H10N2OS/c1-2-3-8-5(9)4-7-6(8)10/h2-4H2,1H3,(H,7,10)
InChIKeyIHKDRPOYGQYGPI-UHFFFAOYSA-N
XLogP0.11
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Acetyl-2-thiohydantoin
CID 684551
3-(2-Aminoethyl)-2-thioxo-4-imidazolidinone
CID 3032286
Methylthiohydantoin
CID 3037576
Hydantoin, 3-(3-(dimethylamino)propyl)-2-thio-, hydrochloride
CID 3070465
1-Acetylimidazolidinethione
CID 1540450
3-Butyl-2-thioxoimidazolidin-4-one
CID 4218308
1,3-Diethyl-2-sulfanylideneimidazolidin-4-one
CID 4841850
3-Isopropyl-2-thiohydantoin
CID 2726741
Hydantoin, 3-(3-(dimethylamino)propyl)-5-methyl-2-thio-, hydrochloride
CID 3070469
Hydantoin, 3-(3-(diethylamino)propyl)-5-methyl-2-thio-, hydrochloride
CID 3070483
Hydantoin, 3-(3-(diethylamino)propyl)-2-thio-, hydrochloride
CID 3070485
3-Acetyl-2-sulfanylideneimidazolidin-4-one
CID 11217391

Frequently Asked Questions

What is the IUPAC name of 3-propyl-2-sulfanylideneimidazolidin-4-one?
The IUPAC name of 3-propyl-2-sulfanylideneimidazolidin-4-one (CID 4769895) is 3-propyl-2-sulfanylideneimidazolidin-4-one.
What is the SMILES notation for 3-propyl-2-sulfanylideneimidazolidin-4-one?
The canonical SMILES for 3-propyl-2-sulfanylideneimidazolidin-4-one is CCCN1C(=O)CNC1=S.
What is the InChIKey of 3-propyl-2-sulfanylideneimidazolidin-4-one?
The InChIKey is IHKDRPOYGQYGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2OS/c1-2-3-8-5(9)4-7-6(8)10/h2-4H2,1H3,(H,7,10).
What are the key properties of 3-propyl-2-sulfanylideneimidazolidin-4-one?
3-propyl-2-sulfanylideneimidazolidin-4-one has a molecular weight of 158.23 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-2-sulfanylideneimidazolidin-4-one is sourced from PubChem (CID 4769895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).