2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane

C18H18O5S2 — CID 21248194

IUPAC2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane
SMILESc1cc(SOSc2ccc(OCC3CO3)cc2)ccc1OCC1CO1
InChIInChI=1S/C18H18O5S2/c1-5-17(6-2-13(1)19-9-15-11-21-15)24-23-25-18-7-3-14(4-8-18)20-10-16-12-22-16/h1-8,15-16H,9-12H2
InChIKeyRVIGCJWLBBWFPI-UHFFFAOYSA-N
MW378.47 g/mol
LogP3.97
Rot. Bonds10

About 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane

2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane (PubChem CID 21248194) has the molecular formula C18H18O5S2 and a molecular weight of 378.47 g/mol. Its IUPAC name is 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane
PubChem CID21248194
Molecular FormulaC18H18O5S2
Molecular Weight378.47 g/mol
Exact Mass378.06
IUPAC Name2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane
SMILESc1cc(SOSc2ccc(OCC3CO3)cc2)ccc1OCC1CO1
InChIInChI=1S/C18H18O5S2/c1-5-17(6-2-13(1)19-9-15-11-21-15)24-23-25-18-7-3-14(4-8-18)20-10-16-12-22-16/h1-8,15-16H,9-12H2
InChIKeyRVIGCJWLBBWFPI-UHFFFAOYSA-N
XLogP3.97
TPSA52.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-[[4-[[(2S)-oxiran-2-yl]methoxy]phenoxy]methyl]oxirane
CID 677176
4-(oxiran-2-ylmethoxy)-N-[4-(oxiran-2-ylmethoxy)phenyl]-N-[[4-(oxiran-2-ylmethoxy)phenyl]methyl]aniline
CID 163586809
bis[4-(oxiran-2-ylmethoxy)phenyl]diazene
CID 4055525
2-[2-(oxiran-2-ylmethoxy)ethoxymethyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
CID 146313445
2-[[4-[4-(ethoxymethoxy)phenyl]sulfanylphenoxy]methyl]oxirane
CID 137484879
methane;4-(oxiran-2-ylmethoxy)phenol
CID 159818409
CID 59015330
CID 59015330
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730
ethane;tetrakis(2-(phenoxymethyl)oxirane)
CID 160621496
ethene;2-(phenoxymethyl)oxirane
CID 135283522
ethane;(2S)-2-(phenoxymethyl)oxirane
CID 164913694
butane;2-[(4-methylphenoxy)methyl]oxirane
CID 91527054

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane?
The IUPAC name of 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane (CID 21248194) is 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane?
The canonical SMILES for 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane is c1cc(SOSc2ccc(OCC3CO3)cc2)ccc1OCC1CO1.
What is the InChIKey of 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane?
The InChIKey is RVIGCJWLBBWFPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O5S2/c1-5-17(6-2-13(1)19-9-15-11-21-15)24-23-25-18-7-3-14(4-8-18)20-10-16-12-22-16/h1-8,15-16H,9-12H2.
What are the key properties of 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane?
2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane has a molecular weight of 378.47 g/mol, XLogP of 3.97, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[4-(oxiran-2-ylmethoxy)phenyl]sulfanyloxysulfanylphenoxy]methyl]oxirane is sourced from PubChem (CID 21248194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).