1-naphthalen-1-ylsulfanyl-2,3-dihydro-1H-benzo[f]thiochromene

C23H18S2 — CID 14045484

IUPAC1-naphthalen-1-ylsulfanyl-2,3-dihydro-1H-benzo[f]thiochromene
SMILESc1ccc2c(SC3CCSc4ccc5ccccc5c43)cccc2c1
InChIInChI=1S/C23H18S2/c1-3-9-18-16(6-1)8-5-11-20(18)25-22-14-15-24-21-13-12-17-7-2-4-10-19(17)23(21)22/h1-13,22H,14-15H2
InChIKeyDFWGKFHQACZEGI-UHFFFAOYSA-N
MW358.53 g/mol
LogP7.32
Rot. Bonds2

About 1-naphthalen-1-ylsulfanyl-2,3-dihydro-1H-benzo[f]thiochromene

1-naphthalen-1-ylsulfanyl-2,3-dihydro-1H-benzo[f]thiochromene (PubChem CID 14045484) has the molecular formula C23H18S2 and a molecular weight of 358.53 g/mol. Its IUPAC name is 1-naphthalen-1-ylsulfanyl-2,3-dihydro-1H-benzo[f]thiochromene.

Molecular Properties

Compound Name1-naphthalen-1-ylsulfanyl-2,3-dihydro-1H-benzo[f]thiochromene
PubChem CID14045484
Molecular FormulaC23H18S2
Molecular Weight358.53 g/mol
Exact Mass358.08
IUPAC Name1-naphthalen-1-ylsulfanyl-2,3-dihydro-1H-benzo[f]thiochromene
SMILESc1ccc2c(SC3CCSc4ccc5ccccc5c43)cccc2c1
InChIInChI=1S/C23H18S2/c1-3-9-18-16(6-1)8-5-11-20(18)25-22-14-15-24-21-13-12-17-7-2-4-10-19(17)23(21)22/h1-13,22H,14-15H2
InChIKeyDFWGKFHQACZEGI-UHFFFAOYSA-N
XLogP7.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.53
LogP ≤ 57.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-ylsulfanyl-2,3-dihydro-1H-benzo[f]thiochromene?
The IUPAC name of 1-naphthalen-1-ylsulfanyl-2,3-dihydro-1H-benzo[f]thiochromene (CID 14045484) is 1-naphthalen-1-ylsulfanyl-2,3-dihydro-1H-benzo[f]thiochromene.
What is the SMILES notation for 1-naphthalen-1-ylsulfanyl-2,3-dihydro-1H-benzo[f]thiochromene?
The canonical SMILES for 1-naphthalen-1-ylsulfanyl-2,3-dihydro-1H-benzo[f]thiochromene is c1ccc2c(SC3CCSc4ccc5ccccc5c43)cccc2c1.
What is the InChIKey of 1-naphthalen-1-ylsulfanyl-2,3-dihydro-1H-benzo[f]thiochromene?
The InChIKey is DFWGKFHQACZEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18S2/c1-3-9-18-16(6-1)8-5-11-20(18)25-22-14-15-24-21-13-12-17-7-2-4-10-19(17)23(21)22/h1-13,22H,14-15H2.
What are the key properties of 1-naphthalen-1-ylsulfanyl-2,3-dihydro-1H-benzo[f]thiochromene?
1-naphthalen-1-ylsulfanyl-2,3-dihydro-1H-benzo[f]thiochromene has a molecular weight of 358.53 g/mol, XLogP of 7.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-ylsulfanyl-2,3-dihydro-1H-benzo[f]thiochromene is sourced from PubChem (CID 14045484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).