dinaphthalen-1-yloxymethanethione

C21H14O2S — CID 22635249

IUPACdinaphthalen-1-yloxymethanethione
SMILESS=C(Oc1cccc2ccccc12)Oc1cccc2ccccc12
InChIInChI=1S/C21H14O2S/c24-21(22-19-13-5-9-15-7-1-3-11-17(15)19)23-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKeySBZSBSYDZWALJB-UHFFFAOYSA-N
MW330.41 g/mol
LogP5.74
Rot. Bonds2

About dinaphthalen-1-yloxymethanethione

dinaphthalen-1-yloxymethanethione (PubChem CID 22635249) has the molecular formula C21H14O2S and a molecular weight of 330.41 g/mol. Its IUPAC name is dinaphthalen-1-yloxymethanethione.

Molecular Properties

Compound Namedinaphthalen-1-yloxymethanethione
PubChem CID22635249
Molecular FormulaC21H14O2S
Molecular Weight330.41 g/mol
Exact Mass330.07
IUPAC Namedinaphthalen-1-yloxymethanethione
SMILESS=C(Oc1cccc2ccccc12)Oc1cccc2ccccc12
InChIInChI=1S/C21H14O2S/c24-21(22-19-13-5-9-15-7-1-3-11-17(15)19)23-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H
InChIKeySBZSBSYDZWALJB-UHFFFAOYSA-N
XLogP5.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.41
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

O-naphthalen-1-yl methylsulfanylmethanethioate
CID 58882717
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
naphthalen-1-yl 2-chloroacetate
CID 588968
2-O-naphthalen-1-yl 1-O-phenyl oxalate
CID 57149132
naphthalen-1-yl N-methylcarbamate
CID 23447097
naphthalen-1-yl prop-2-enoate
CID 10192638
dinaphthalen-1-yl dodecanedioate
CID 14512922
naphthalen-1-yl 2-hydroxybenzoate
CID 504536
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153
naphthalen-1-yl (2R)-2-aminopropanoate
CID 18639263
naphthalen-1-yl 2-methoxyacetate
CID 19894343

Frequently Asked Questions

What is the IUPAC name of dinaphthalen-1-yloxymethanethione?
The IUPAC name of dinaphthalen-1-yloxymethanethione (CID 22635249) is dinaphthalen-1-yloxymethanethione.
What is the SMILES notation for dinaphthalen-1-yloxymethanethione?
The canonical SMILES for dinaphthalen-1-yloxymethanethione is S=C(Oc1cccc2ccccc12)Oc1cccc2ccccc12.
What is the InChIKey of dinaphthalen-1-yloxymethanethione?
The InChIKey is SBZSBSYDZWALJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O2S/c24-21(22-19-13-5-9-15-7-1-3-11-17(15)19)23-20-14-6-10-16-8-2-4-12-18(16)20/h1-14H.
What are the key properties of dinaphthalen-1-yloxymethanethione?
dinaphthalen-1-yloxymethanethione has a molecular weight of 330.41 g/mol, XLogP of 5.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dinaphthalen-1-yloxymethanethione is sourced from PubChem (CID 22635249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).