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

C7H13NO2S3 — CID 176894151

IUPAC1-(4,5-dihydro-1,3-oxazol-2-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane
SMILESCCCC(C1=NCCO1)S(O)(=S)=S
InChIInChI=1S/C7H13NO2S3/c1-2-3-6(13(9,11)12)7-8-4-5-10-7/h6H,2-5H2,1H3,(H,9,11,12)
InChIKeyBFMFCILTOYTTQB-UHFFFAOYSA-N
MW239.39 g/mol
LogP1.13
Rot. Bonds4

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

1-(4,5-dihydro-1,3-oxazol-2-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane (PubChem CID 176894151) has the molecular formula C7H13NO2S3 and a molecular weight of 239.39 g/mol. Its IUPAC name is 1-(4,5-dihydro-1,3-oxazol-2-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane.

Molecular Properties

Compound Name1-(4,5-dihydro-1,3-oxazol-2-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane
PubChem CID176894151
Molecular FormulaC7H13NO2S3
Molecular Weight239.39 g/mol
Exact Mass239.01
IUPAC Name1-(4,5-dihydro-1,3-oxazol-2-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane
SMILESCCCC(C1=NCCO1)S(O)(=S)=S
InChIInChI=1S/C7H13NO2S3/c1-2-3-6(13(9,11)12)7-8-4-5-10-7/h6H,2-5H2,1H3,(H,9,11,12)
InChIKeyBFMFCILTOYTTQB-UHFFFAOYSA-N
XLogP1.13
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(4,5-dihydro-1,3-oxazol-2-yl)butyl-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)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane?
The IUPAC name of 1-(4,5-dihydro-1,3-oxazol-2-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane (CID 176894151) is 1-(4,5-dihydro-1,3-oxazol-2-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane.
What is the SMILES notation for 1-(4,5-dihydro-1,3-oxazol-2-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane?
The canonical SMILES for 1-(4,5-dihydro-1,3-oxazol-2-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane is CCCC(C1=NCCO1)S(O)(=S)=S.
What is the InChIKey of 1-(4,5-dihydro-1,3-oxazol-2-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane?
The InChIKey is BFMFCILTOYTTQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2S3/c1-2-3-6(13(9,11)12)7-8-4-5-10-7/h6H,2-5H2,1H3,(H,9,11,12).
What are the key properties of 1-(4,5-dihydro-1,3-oxazol-2-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane?
1-(4,5-dihydro-1,3-oxazol-2-yl)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane has a molecular weight of 239.39 g/mol, XLogP of 1.13, 4 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)butyl-hydroxy-bis(sulfanylidene)-λ6-sulfane is sourced from PubChem (CID 176894151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).