2-naphthalen-1-ylsulfanylnaphthalene-1-thiol

C20H14S2 — CID 57475542

IUPAC2-naphthalen-1-ylsulfanylnaphthalene-1-thiol
SMILESSc1c(Sc2cccc3ccccc23)ccc2ccccc12
InChIInChI=1S/C20H14S2/c21-20-17-10-4-2-7-15(17)12-13-19(20)22-18-11-5-8-14-6-1-3-9-16(14)18/h1-13,21H
InChIKeyGMKMQFOFVMFVOD-UHFFFAOYSA-N
MW318.47 g/mol
LogP6.43
Rot. Bonds2

About 2-naphthalen-1-ylsulfanylnaphthalene-1-thiol

2-naphthalen-1-ylsulfanylnaphthalene-1-thiol (PubChem CID 57475542) has the molecular formula C20H14S2 and a molecular weight of 318.47 g/mol. Its IUPAC name is 2-naphthalen-1-ylsulfanylnaphthalene-1-thiol.

Molecular Properties

Compound Name2-naphthalen-1-ylsulfanylnaphthalene-1-thiol
PubChem CID57475542
Molecular FormulaC20H14S2
Molecular Weight318.47 g/mol
Exact Mass318.05
IUPAC Name2-naphthalen-1-ylsulfanylnaphthalene-1-thiol
SMILESSc1c(Sc2cccc3ccccc23)ccc2ccccc12
InChIInChI=1S/C20H14S2/c21-20-17-10-4-2-7-15(17)12-13-19(20)22-18-11-5-8-14-6-1-3-9-16(14)18/h1-13,21H
InChIKeyGMKMQFOFVMFVOD-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.47
LogP ≤ 56.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3-naphthalen-1-ylsulfanylbenzene-1,2-diol
CID 174889170
azanylidyne(naphthalen-1-yl)-λ4-sulfane
CID 158900561
naphthalen-1-yl thiohypofluorite
CID 142394158
2-chloro-4-naphthalen-1-ylsulfanylnaphthalen-1-ol
CID 70015701
2,3-dihydroxy-4-naphthalen-1-ylsulfanylcyclohepta-2,4,6-trien-1-one
CID 155279281
1-phenylsulfanylphenanthrene
CID 172559592
3-naphthalen-1-ylsulfanylphenol
CID 126704011
2-naphthalen-1-ylsulfanylacetaldehyde
CID 57268910
N-methyl-2-naphthalen-1-ylsulfanylbenzamide
CID 2801926
naphthalen-1-ylsulfanyl chlorate
CID 170558441
1-diazoniosulfanylnaphthalene
CID 172863183
2-[naphthalen-1-ylsulfanyl(sulfanyl)methylidene]propanedinitrile
CID 134966449

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-1-ylsulfanylnaphthalene-1-thiol?
The IUPAC name of 2-naphthalen-1-ylsulfanylnaphthalene-1-thiol (CID 57475542) is 2-naphthalen-1-ylsulfanylnaphthalene-1-thiol.
What is the SMILES notation for 2-naphthalen-1-ylsulfanylnaphthalene-1-thiol?
The canonical SMILES for 2-naphthalen-1-ylsulfanylnaphthalene-1-thiol is Sc1c(Sc2cccc3ccccc23)ccc2ccccc12.
What is the InChIKey of 2-naphthalen-1-ylsulfanylnaphthalene-1-thiol?
The InChIKey is GMKMQFOFVMFVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14S2/c21-20-17-10-4-2-7-15(17)12-13-19(20)22-18-11-5-8-14-6-1-3-9-16(14)18/h1-13,21H.
What are the key properties of 2-naphthalen-1-ylsulfanylnaphthalene-1-thiol?
2-naphthalen-1-ylsulfanylnaphthalene-1-thiol has a molecular weight of 318.47 g/mol, XLogP of 6.43, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-1-ylsulfanylnaphthalene-1-thiol is sourced from PubChem (CID 57475542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).