5-phenylsulfanylinden-1-one

C15H10OS — CID 141147197

IUPAC5-phenylsulfanylinden-1-one
SMILESO=C1C=Cc2cc(Sc3ccccc3)ccc21
InChIInChI=1S/C15H10OS/c16-15-9-6-11-10-13(7-8-14(11)15)17-12-4-2-1-3-5-12/h1-10H
InChIKeyIFILASJKXSARCT-UHFFFAOYSA-N
MW238.31 g/mol
LogP4.05
Rot. Bonds2

About 5-phenylsulfanylinden-1-one

5-phenylsulfanylinden-1-one (PubChem CID 141147197) has the molecular formula C15H10OS and a molecular weight of 238.31 g/mol. Its IUPAC name is 5-phenylsulfanylinden-1-one.

Molecular Properties

Compound Name5-phenylsulfanylinden-1-one
PubChem CID141147197
Molecular FormulaC15H10OS
Molecular Weight238.31 g/mol
Exact Mass238.05
IUPAC Name5-phenylsulfanylinden-1-one
SMILESO=C1C=Cc2cc(Sc3ccccc3)ccc21
InChIInChI=1S/C15H10OS/c16-15-9-6-11-10-13(7-8-14(11)15)17-12-4-2-1-3-5-12/h1-10H
InChIKeyIFILASJKXSARCT-UHFFFAOYSA-N
XLogP4.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.31
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-diphenyl-4-phenylsulfanylbenzene
CID 141384585
1,3-bis[(3-phenylsulfanylphenyl)sulfanyl]benzene
CID 21413042
CID 66690055
CID 66690055
5-[4-[4-(1,3-dioxo-2-phenylisoindol-5-yl)sulfanylphenyl]phenyl]sulfanyl-2-phenylisoindole-1,3-dione
CID 21434743
1,4-bis(phenylsulfanyl)benzene;ethane;tritiomethane
CID 158378208
2-phenyl-4-phenylsulfanylaniline
CID 68788372
1-phenyl-2-(4-phenylsulfanylphenyl)benzene
CID 21416504
2-phenylsulfanylthioxanthen-9-one
CID 66915289
hydron;naphthalene-1,4-dione
CID 174880921
5-(2-phenyl-5-pyridin-4-yl-1H-imidazol-4-yl)inden-1-one
CID 141051178
cyclopenta[a]azulen-3-one;ethane
CID 158513758
phenylsulfanylbenzene;urea
CID 161199097

Frequently Asked Questions

What is the IUPAC name of 5-phenylsulfanylinden-1-one?
The IUPAC name of 5-phenylsulfanylinden-1-one (CID 141147197) is 5-phenylsulfanylinden-1-one.
What is the SMILES notation for 5-phenylsulfanylinden-1-one?
The canonical SMILES for 5-phenylsulfanylinden-1-one is O=C1C=Cc2cc(Sc3ccccc3)ccc21.
What is the InChIKey of 5-phenylsulfanylinden-1-one?
The InChIKey is IFILASJKXSARCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10OS/c16-15-9-6-11-10-13(7-8-14(11)15)17-12-4-2-1-3-5-12/h1-10H.
What are the key properties of 5-phenylsulfanylinden-1-one?
5-phenylsulfanylinden-1-one has a molecular weight of 238.31 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenylsulfanylinden-1-one is sourced from PubChem (CID 141147197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).