naphthalene-1,5-dithiol

C10H8S2 — CID 21397

IUPACnaphthalene-1,5-dithiol
SMILESSc1cccc2c(S)cccc12
InChIInChI=1S/C10H8S2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H
InChIKeyAAPAGLBSROJFGM-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.42
Rot. Bonds

About naphthalene-1,5-dithiol

naphthalene-1,5-dithiol (PubChem CID 21397) has the molecular formula C10H8S2 and a molecular weight of 192.31 g/mol. Its IUPAC name is naphthalene-1,5-dithiol.

Molecular Properties

Compound Namenaphthalene-1,5-dithiol
PubChem CID21397
Molecular FormulaC10H8S2
Molecular Weight192.31 g/mol
Exact Mass192.01
IUPAC Namenaphthalene-1,5-dithiol
SMILESSc1cccc2c(S)cccc12
InChIInChI=1S/C10H8S2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H
InChIKeyAAPAGLBSROJFGM-UHFFFAOYSA-N
XLogP3.42
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Naphthalenethiol
CID 7058
Sodium 1-naphthalenesulfonate
CID 23661867
1,5-Naphthalenedisulfonic acid
CID 6666
1-Naphthalenesulfonic acid
CID 6812
1-Naphthalenethiol
CID 68259
Disulfide, 1,2-di-2-naphthalenyl
CID 79697
1-Naphthalenesulfonyl chloride
CID 66560
2,3-Xylenethiol
CID 87798
1,5-Naphthalenedisulfonic acid, disodium salt hydrate
CID 51346588
9-Anthracenethiol
CID 264192
[1,1'-Binaphthalene]-2,2'-dithiol
CID 625302
Naphthalene-1-sulfonate
CID 4224596

Frequently Asked Questions

What is the IUPAC name of naphthalene-1,5-dithiol?
The IUPAC name of naphthalene-1,5-dithiol (CID 21397) is naphthalene-1,5-dithiol.
What is the SMILES notation for naphthalene-1,5-dithiol?
The canonical SMILES for naphthalene-1,5-dithiol is Sc1cccc2c(S)cccc12.
What is the InChIKey of naphthalene-1,5-dithiol?
The InChIKey is AAPAGLBSROJFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8S2/c11-9-5-1-3-7-8(9)4-2-6-10(7)12/h1-6,11-12H.
What are the key properties of naphthalene-1,5-dithiol?
naphthalene-1,5-dithiol has a molecular weight of 192.31 g/mol, XLogP of 3.42, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,5-dithiol is sourced from PubChem (CID 21397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).