2-[(4-phenoxyphenyl)sulfinylmethyl]thiirane

C15H14O2S2 — CID 44513269

IUPAC2-[(4-phenoxyphenyl)sulfinylmethyl]thiirane
SMILESO=S(CC1CS1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H14O2S2/c16-19(11-14-10-18-14)15-8-6-13(7-9-15)17-12-4-2-1-3-5-12/h1-9,14H,10-11H2
InChIKeyBCMLMVXTJIMQTK-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.70
Rot. Bonds5

About 2-[(4-phenoxyphenyl)sulfinylmethyl]thiirane

2-[(4-phenoxyphenyl)sulfinylmethyl]thiirane (PubChem CID 44513269) has the molecular formula C15H14O2S2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[(4-phenoxyphenyl)sulfinylmethyl]thiirane.

Molecular Properties

Compound Name2-[(4-phenoxyphenyl)sulfinylmethyl]thiirane
PubChem CID44513269
Molecular FormulaC15H14O2S2
Molecular Weight290.41 g/mol
Exact Mass290.04
IUPAC Name2-[(4-phenoxyphenyl)sulfinylmethyl]thiirane
SMILESO=S(CC1CS1)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C15H14O2S2/c16-19(11-14-10-18-14)15-8-6-13(7-9-15)17-12-4-2-1-3-5-12/h1-9,14H,10-11H2
InChIKeyBCMLMVXTJIMQTK-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(4-phenoxyphenyl)sulfinylmethyl]thiirane 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

2-[(4-phenoxyphenyl)sulfanylmethyl]thiirane
CID 143334698
oxophosphanium;phenoxybenzene
CID 161329594
2-[2-methylsulfonyl-3-(4-phenoxyphenyl)propyl]thiirane
CID 15942100
(2S)-2-(benzenesulfinylmethyl)oxirane
CID 130493494
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720
CID 159259752
CID 159259752
2-(benzenesulfinylmethyl)-1,3-oxathiane
CID 86038140
2-[2-(4-phenoxyphenyl)sulfonylpropan-2-yl]thiirane
CID 44513270
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
potassium;hydride;phenoxybenzene
CID 173391576
4-[3-(4-sulfinophenoxy)phenoxy]benzenesulfinic acid
CID 59847587

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenoxyphenyl)sulfinylmethyl]thiirane?
The IUPAC name of 2-[(4-phenoxyphenyl)sulfinylmethyl]thiirane (CID 44513269) is 2-[(4-phenoxyphenyl)sulfinylmethyl]thiirane.
What is the SMILES notation for 2-[(4-phenoxyphenyl)sulfinylmethyl]thiirane?
The canonical SMILES for 2-[(4-phenoxyphenyl)sulfinylmethyl]thiirane is O=S(CC1CS1)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-[(4-phenoxyphenyl)sulfinylmethyl]thiirane?
The InChIKey is BCMLMVXTJIMQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O2S2/c16-19(11-14-10-18-14)15-8-6-13(7-9-15)17-12-4-2-1-3-5-12/h1-9,14H,10-11H2.
What are the key properties of 2-[(4-phenoxyphenyl)sulfinylmethyl]thiirane?
2-[(4-phenoxyphenyl)sulfinylmethyl]thiirane has a molecular weight of 290.41 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenoxyphenyl)sulfinylmethyl]thiirane is sourced from PubChem (CID 44513269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).