naphthalene-2,6-dithiol

C10H8S2 — CID 13379616

IUPACnaphthalene-2,6-dithiol
SMILESSc1ccc2cc(S)ccc2c1
InChIInChI=1S/C10H8S2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6,11-12H
InChIKeyXMHBJPKFTZSWRJ-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.42
Rot. Bonds

About naphthalene-2,6-dithiol

naphthalene-2,6-dithiol (PubChem CID 13379616) has the molecular formula C10H8S2 and a molecular weight of 192.31 g/mol. Its IUPAC name is naphthalene-2,6-dithiol.

Molecular Properties

Compound Namenaphthalene-2,6-dithiol
PubChem CID13379616
Molecular FormulaC10H8S2
Molecular Weight192.31 g/mol
Exact Mass192.01
IUPAC Namenaphthalene-2,6-dithiol
SMILESSc1ccc2cc(S)ccc2c1
InChIInChI=1S/C10H8S2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6,11-12H
InChIKeyXMHBJPKFTZSWRJ-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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Frequently Asked Questions

What is the IUPAC name of naphthalene-2,6-dithiol?
The IUPAC name of naphthalene-2,6-dithiol (CID 13379616) is naphthalene-2,6-dithiol.
What is the SMILES notation for naphthalene-2,6-dithiol?
The canonical SMILES for naphthalene-2,6-dithiol is Sc1ccc2cc(S)ccc2c1.
What is the InChIKey of naphthalene-2,6-dithiol?
The InChIKey is XMHBJPKFTZSWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8S2/c11-9-3-1-7-5-10(12)4-2-8(7)6-9/h1-6,11-12H.
What are the key properties of naphthalene-2,6-dithiol?
naphthalene-2,6-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-2,6-dithiol is sourced from PubChem (CID 13379616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).