1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane

C6H11NO2S3 — CID 176894155

IUPAC1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane
SMILESCCC(C1=NCCO1)S(O)(=S)=S
InChIInChI=1S/C6H11NO2S3/c1-2-5(12(8,10)11)6-7-3-4-9-6/h5H,2-4H2,1H3,(H,8,10,11)
InChIKeyIWQHGCRATQEJHN-UHFFFAOYSA-N
MW225.36 g/mol
LogP0.74
Rot. Bonds3

About 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane

1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane (PubChem CID 176894155) has the molecular formula C6H11NO2S3 and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane
PubChem CID176894155
Molecular FormulaC6H11NO2S3
Molecular Weight225.36 g/mol
Exact Mass225.00
IUPAC Name1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane
SMILESCCC(C1=NCCO1)S(O)(=S)=S
InChIInChI=1S/C6H11NO2S3/c1-2-5(12(8,10)11)6-7-3-4-9-6/h5H,2-4H2,1H3,(H,8,10,11)
InChIKeyIWQHGCRATQEJHN-UHFFFAOYSA-N
XLogP0.74
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane?
The IUPAC name of 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane (CID 176894155) is 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane.
What is the SMILES notation for 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane?
The canonical SMILES for 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane is CCC(C1=NCCO1)S(O)(=S)=S.
What is the InChIKey of 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane?
The InChIKey is IWQHGCRATQEJHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2S3/c1-2-5(12(8,10)11)6-7-3-4-9-6/h5H,2-4H2,1H3,(H,8,10,11).
What are the key properties of 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane?
1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane has a molecular weight of 225.36 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1,3-oxazol-2-yl)propyl-hydroxy-bis(sulfanylidene)-λ6-sulfane is sourced from PubChem (CID 176894155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).