2-[(4-phenoxyphenyl)sulfanylmethyl]thiirane

C15H14OS2 — CID 143334698

IUPAC2-[(4-phenoxyphenyl)sulfanylmethyl]thiirane
SMILESc1ccc(Oc2ccc(SCC3CS3)cc2)cc1
InChIInChI=1S/C15H14OS2/c1-2-4-12(5-3-1)16-13-6-8-14(9-7-13)17-10-15-11-18-15/h1-9,15H,10-11H2
InChIKeyYOJXFPGOJCPIGS-UHFFFAOYSA-N
MW274.41 g/mol
LogP4.69
Rot. Bonds5

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

2-[(4-phenoxyphenyl)sulfanylmethyl]thiirane (PubChem CID 143334698) has the molecular formula C15H14OS2 and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-[(4-phenoxyphenyl)sulfanylmethyl]thiirane.

Molecular Properties

Compound Name2-[(4-phenoxyphenyl)sulfanylmethyl]thiirane
PubChem CID143334698
Molecular FormulaC15H14OS2
Molecular Weight274.41 g/mol
Exact Mass274.05
IUPAC Name2-[(4-phenoxyphenyl)sulfanylmethyl]thiirane
SMILESc1ccc(Oc2ccc(SCC3CS3)cc2)cc1
InChIInChI=1S/C15H14OS2/c1-2-4-12(5-3-1)16-13-6-8-14(9-7-13)17-10-15-11-18-15/h1-9,15H,10-11H2
InChIKeyYOJXFPGOJCPIGS-UHFFFAOYSA-N
XLogP4.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-[4-[4-(thiiran-2-ylmethylsulfanyl)phenoxy]phenyl]acetamide
CID 145049440
2-[(4-methylphenyl)sulfanylmethyl]thiirane
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3-[[4-(thiiran-2-ylmethylsulfanyl)phenyl]sulfanylmethyl]dithietane
CID 23061492
2-[[4-[4-(thiiran-2-ylmethylsulfanyl)phenyl]sulfinylphenyl]sulfanylmethyl]thiirane
CID 175244003
2-[(4-phenoxyphenyl)sulfinylmethyl]thiirane
CID 44513269
2-[2-methylsulfonyl-3-(4-phenoxyphenyl)propyl]thiirane
CID 15942100
1-hydroxysulfanyl-4-phenoxybenzene
CID 140545785
2-[[4-(4-methylsulfanylphenoxy)phenyl]sulfonylmethyl]thiirane
CID 53350124
iron;phenoxybenzene
CID 174434720
potassium phenoxybenzene
CID 19858586
CID 159259752
CID 159259752
1-(diethoxyphosphorylmethylsulfanyl)-4-phenoxybenzene
CID 134216339

Frequently Asked Questions

What is the IUPAC name of 2-[(4-phenoxyphenyl)sulfanylmethyl]thiirane?
The IUPAC name of 2-[(4-phenoxyphenyl)sulfanylmethyl]thiirane (CID 143334698) is 2-[(4-phenoxyphenyl)sulfanylmethyl]thiirane.
What is the SMILES notation for 2-[(4-phenoxyphenyl)sulfanylmethyl]thiirane?
The canonical SMILES for 2-[(4-phenoxyphenyl)sulfanylmethyl]thiirane is c1ccc(Oc2ccc(SCC3CS3)cc2)cc1.
What is the InChIKey of 2-[(4-phenoxyphenyl)sulfanylmethyl]thiirane?
The InChIKey is YOJXFPGOJCPIGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14OS2/c1-2-4-12(5-3-1)16-13-6-8-14(9-7-13)17-10-15-11-18-15/h1-9,15H,10-11H2.
What are the key properties of 2-[(4-phenoxyphenyl)sulfanylmethyl]thiirane?
2-[(4-phenoxyphenyl)sulfanylmethyl]thiirane has a molecular weight of 274.41 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-phenoxyphenyl)sulfanylmethyl]thiirane is sourced from PubChem (CID 143334698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).