4-naphthalen-2-yl-1,3-dithiol-2-one

C13H8OS2 — CID 125487158

IUPAC4-naphthalen-2-yl-1,3-dithiol-2-one
SMILESO=c1scc(-c2ccc3ccccc3c2)s1
InChIInChI=1S/C13H8OS2/c14-13-15-8-12(16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
InChIKeyQSWLKGRHTVJPNS-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.99
Rot. Bonds1

About 4-naphthalen-2-yl-1,3-dithiol-2-one

4-naphthalen-2-yl-1,3-dithiol-2-one (PubChem CID 125487158) has the molecular formula C13H8OS2 and a molecular weight of 244.34 g/mol. Its IUPAC name is 4-naphthalen-2-yl-1,3-dithiol-2-one.

Molecular Properties

Compound Name4-naphthalen-2-yl-1,3-dithiol-2-one
PubChem CID125487158
Molecular FormulaC13H8OS2
Molecular Weight244.34 g/mol
Exact Mass244.00
IUPAC Name4-naphthalen-2-yl-1,3-dithiol-2-one
SMILESO=c1scc(-c2ccc3ccccc3c2)s1
InChIInChI=1S/C13H8OS2/c14-13-15-8-12(16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H
InChIKeyQSWLKGRHTVJPNS-UHFFFAOYSA-N
XLogP3.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-naphthalen-2-ylthiophen-2-amine
CID 67962708
5-naphthalen-2-ylthieno[3,2-b]thiophene
CID 134966612
2,6-bis(4-naphthalen-2-ylphenyl)thieno[2,3-f][1]benzothiole
CID 156519650
benzo[f]azulene
CID 13065869
5-naphthalen-2-yl-1,2,4-dithiazol-3-one
CID 71596669
2,7-dinaphthalen-2-ylfluoren-9-one
CID 59245491
2-[4-[4-[4-(trifluoromethyl)phenyl]phenyl]phenyl]naphthalene
CID 171056262
2,8-dinaphthalen-2-yldibenzothiophene
CID 58971417
2-[4-(trifluoromethyl)phenyl]naphthalene
CID 11448652
2-naphthalen-2-yl-4,5,7-triphenylthieno[3,2-e][1]benzothiole
CID 102170706
cyclopropyl-(5-naphthalen-2-ylthiophen-2-yl)methanone
CID 43154050
5-naphthalen-2-yl-1-benzothiophene
CID 101067943

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-1,3-dithiol-2-one?
The IUPAC name of 4-naphthalen-2-yl-1,3-dithiol-2-one (CID 125487158) is 4-naphthalen-2-yl-1,3-dithiol-2-one.
What is the SMILES notation for 4-naphthalen-2-yl-1,3-dithiol-2-one?
The canonical SMILES for 4-naphthalen-2-yl-1,3-dithiol-2-one is O=c1scc(-c2ccc3ccccc3c2)s1.
What is the InChIKey of 4-naphthalen-2-yl-1,3-dithiol-2-one?
The InChIKey is QSWLKGRHTVJPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8OS2/c14-13-15-8-12(16-13)11-6-5-9-3-1-2-4-10(9)7-11/h1-8H.
What are the key properties of 4-naphthalen-2-yl-1,3-dithiol-2-one?
4-naphthalen-2-yl-1,3-dithiol-2-one has a molecular weight of 244.34 g/mol, XLogP of 3.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-naphthalen-2-yl-1,3-dithiol-2-one is sourced from PubChem (CID 125487158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).