3-naphthalen-1-ylsulfanyl-1-phenylpropan-1-one

C19H16OS — CID 12667048

IUPAC3-naphthalen-1-ylsulfanyl-1-phenylpropan-1-one
SMILESO=C(CCSc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H16OS/c20-18(16-8-2-1-3-9-16)13-14-21-19-12-6-10-15-7-4-5-11-17(15)19/h1-12H,13-14H2
InChIKeyWBQBUTSDXSVGML-UHFFFAOYSA-N
MW292.40 g/mol
LogP5.20
Rot. Bonds5

About 3-naphthalen-1-ylsulfanyl-1-phenylpropan-1-one

3-naphthalen-1-ylsulfanyl-1-phenylpropan-1-one (PubChem CID 12667048) has the molecular formula C19H16OS and a molecular weight of 292.40 g/mol. Its IUPAC name is 3-naphthalen-1-ylsulfanyl-1-phenylpropan-1-one.

Molecular Properties

Compound Name3-naphthalen-1-ylsulfanyl-1-phenylpropan-1-one
PubChem CID12667048
Molecular FormulaC19H16OS
Molecular Weight292.40 g/mol
Exact Mass292.09
IUPAC Name3-naphthalen-1-ylsulfanyl-1-phenylpropan-1-one
SMILESO=C(CCSc1cccc2ccccc12)c1ccccc1
InChIInChI=1S/C19H16OS/c20-18(16-8-2-1-3-9-16)13-14-21-19-12-6-10-15-7-4-5-11-17(15)19/h1-12H,13-14H2
InChIKeyWBQBUTSDXSVGML-UHFFFAOYSA-N
XLogP5.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.40
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-(3-oxo-3-phenylpropyl)sulfanylethylsulfanyl]-1-phenylpropan-1-one
CID 4144349
3-(4-tert-butylphenyl)sulfanyl-1-phenylpropan-1-one
CID 116692222
(3-oxo-3-phenylpropyl) thiohypobromite
CID 141050079
2-naphthalen-1-yl-1-phenylethanone
CID 10900926
2-naphthalen-1-ylsulfanylethyl prop-2-enoate
CID 57077168
1-naphthalen-1-ylsulfanylpropan-2-ol;prop-2-enoic acid
CID 175303082
1-phenylbutan-1-one
CID 10315
3-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-1-phenylpropan-1-one
CID 116692221
3,3-dimethyl-1-naphthalen-1-ylsulfanylbutan-2-one
CID 40645894
1-phenylbutan-1-one;hydrobromide
CID 139638507
2-naphthalen-1-ylsulfanylacetaldehyde
CID 57268910
1-(4-naphthalen-1-ylsulfanylphenyl)ethanone
CID 53343510

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-1-ylsulfanyl-1-phenylpropan-1-one?
The IUPAC name of 3-naphthalen-1-ylsulfanyl-1-phenylpropan-1-one (CID 12667048) is 3-naphthalen-1-ylsulfanyl-1-phenylpropan-1-one.
What is the SMILES notation for 3-naphthalen-1-ylsulfanyl-1-phenylpropan-1-one?
The canonical SMILES for 3-naphthalen-1-ylsulfanyl-1-phenylpropan-1-one is O=C(CCSc1cccc2ccccc12)c1ccccc1.
What is the InChIKey of 3-naphthalen-1-ylsulfanyl-1-phenylpropan-1-one?
The InChIKey is WBQBUTSDXSVGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16OS/c20-18(16-8-2-1-3-9-16)13-14-21-19-12-6-10-15-7-4-5-11-17(15)19/h1-12H,13-14H2.
What are the key properties of 3-naphthalen-1-ylsulfanyl-1-phenylpropan-1-one?
3-naphthalen-1-ylsulfanyl-1-phenylpropan-1-one has a molecular weight of 292.40 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-1-ylsulfanyl-1-phenylpropan-1-one is sourced from PubChem (CID 12667048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).