4-(4-chlorophenyl)sulfanyl-2H-furan-5-one

C10H7ClO2S — CID 13193087

IUPAC4-(4-chlorophenyl)sulfanyl-2H-furan-5-one
SMILESO=C1OCC=C1Sc1ccc(Cl)cc1
InChIInChI=1S/C10H7ClO2S/c11-7-1-3-8(4-2-7)14-9-5-6-13-10(9)12/h1-5H,6H2
InChIKeyNMPRGSILDDOJLV-UHFFFAOYSA-N
MW226.68 g/mol
LogP2.87
Rot. Bonds2

About 4-(4-chlorophenyl)sulfanyl-2H-furan-5-one

4-(4-chlorophenyl)sulfanyl-2H-furan-5-one (PubChem CID 13193087) has the molecular formula C10H7ClO2S and a molecular weight of 226.68 g/mol. Its IUPAC name is 4-(4-chlorophenyl)sulfanyl-2H-furan-5-one.

Molecular Properties

Compound Name4-(4-chlorophenyl)sulfanyl-2H-furan-5-one
PubChem CID13193087
Molecular FormulaC10H7ClO2S
Molecular Weight226.68 g/mol
Exact Mass225.99
IUPAC Name4-(4-chlorophenyl)sulfanyl-2H-furan-5-one
SMILESO=C1OCC=C1Sc1ccc(Cl)cc1
InChIInChI=1S/C10H7ClO2S/c11-7-1-3-8(4-2-7)14-9-5-6-13-10(9)12/h1-5H,6H2
InChIKeyNMPRGSILDDOJLV-UHFFFAOYSA-N
XLogP2.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)sulfanyl-2H-furan-5-one?
The IUPAC name of 4-(4-chlorophenyl)sulfanyl-2H-furan-5-one (CID 13193087) is 4-(4-chlorophenyl)sulfanyl-2H-furan-5-one.
What is the SMILES notation for 4-(4-chlorophenyl)sulfanyl-2H-furan-5-one?
The canonical SMILES for 4-(4-chlorophenyl)sulfanyl-2H-furan-5-one is O=C1OCC=C1Sc1ccc(Cl)cc1.
What is the InChIKey of 4-(4-chlorophenyl)sulfanyl-2H-furan-5-one?
The InChIKey is NMPRGSILDDOJLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO2S/c11-7-1-3-8(4-2-7)14-9-5-6-13-10(9)12/h1-5H,6H2.
What are the key properties of 4-(4-chlorophenyl)sulfanyl-2H-furan-5-one?
4-(4-chlorophenyl)sulfanyl-2H-furan-5-one has a molecular weight of 226.68 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)sulfanyl-2H-furan-5-one is sourced from PubChem (CID 13193087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).