2-(furan-2-ylmethylsulfanyl)-1-phenothiazin-10-ylethanone

C19H15NO2S2 — CID 23744213

IUPAC2-(furan-2-ylmethylsulfanyl)-1-phenothiazin-10-ylethanone
SMILESO=C(CSCc1ccco1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H15NO2S2/c21-19(13-23-12-14-6-5-11-22-14)20-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)20/h1-11H,12-13H2
InChIKeyXGNDEQYBUPFCHJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.34
Rot. Bonds4

About 2-(furan-2-ylmethylsulfanyl)-1-phenothiazin-10-ylethanone

2-(furan-2-ylmethylsulfanyl)-1-phenothiazin-10-ylethanone (PubChem CID 23744213) has the molecular formula C19H15NO2S2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-(furan-2-ylmethylsulfanyl)-1-phenothiazin-10-ylethanone.

Molecular Properties

Compound Name2-(furan-2-ylmethylsulfanyl)-1-phenothiazin-10-ylethanone
PubChem CID23744213
Molecular FormulaC19H15NO2S2
Molecular Weight353.47 g/mol
Exact Mass353.05
IUPAC Name2-(furan-2-ylmethylsulfanyl)-1-phenothiazin-10-ylethanone
SMILESO=C(CSCc1ccco1)N1c2ccccc2Sc2ccccc21
InChIInChI=1S/C19H15NO2S2/c21-19(13-23-12-14-6-5-11-22-14)20-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)20/h1-11H,12-13H2
InChIKeyXGNDEQYBUPFCHJ-UHFFFAOYSA-N
XLogP5.34
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylsulfanyl)-1-phenothiazin-10-ylethanone?
The IUPAC name of 2-(furan-2-ylmethylsulfanyl)-1-phenothiazin-10-ylethanone (CID 23744213) is 2-(furan-2-ylmethylsulfanyl)-1-phenothiazin-10-ylethanone.
What is the SMILES notation for 2-(furan-2-ylmethylsulfanyl)-1-phenothiazin-10-ylethanone?
The canonical SMILES for 2-(furan-2-ylmethylsulfanyl)-1-phenothiazin-10-ylethanone is O=C(CSCc1ccco1)N1c2ccccc2Sc2ccccc21.
What is the InChIKey of 2-(furan-2-ylmethylsulfanyl)-1-phenothiazin-10-ylethanone?
The InChIKey is XGNDEQYBUPFCHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO2S2/c21-19(13-23-12-14-6-5-11-22-14)20-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)20/h1-11H,12-13H2.
What are the key properties of 2-(furan-2-ylmethylsulfanyl)-1-phenothiazin-10-ylethanone?
2-(furan-2-ylmethylsulfanyl)-1-phenothiazin-10-ylethanone has a molecular weight of 353.47 g/mol, XLogP of 5.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylsulfanyl)-1-phenothiazin-10-ylethanone is sourced from PubChem (CID 23744213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).