naphtho[1,2-h][1,2,3,4]benzotetrathiine

C14H8S4 — CID 141291373

IUPACnaphtho[1,2-h][1,2,3,4]benzotetrathiine
SMILESc1ccc2c(c1)ccc1c2ccc2ssssc21
InChIInChI=1S/C14H8S4/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-14(12)16-18-17-15-13/h1-8H
InChIKeyWPXVKVMWINKOSB-UHFFFAOYSA-N
MW304.49 g/mol
LogP6.52
Rot. Bonds

About naphtho[1,2-h][1,2,3,4]benzotetrathiine

naphtho[1,2-h][1,2,3,4]benzotetrathiine (PubChem CID 141291373) has the molecular formula C14H8S4 and a molecular weight of 304.49 g/mol. Its IUPAC name is naphtho[1,2-h][1,2,3,4]benzotetrathiine.

Molecular Properties

Compound Namenaphtho[1,2-h][1,2,3,4]benzotetrathiine
PubChem CID141291373
Molecular FormulaC14H8S4
Molecular Weight304.49 g/mol
Exact Mass303.95
IUPAC Namenaphtho[1,2-h][1,2,3,4]benzotetrathiine
SMILESc1ccc2c(c1)ccc1c2ccc2ssssc21
InChIInChI=1S/C14H8S4/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-14(12)16-18-17-15-13/h1-8H
InChIKeyWPXVKVMWINKOSB-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.49
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of naphtho[1,2-h][1,2,3,4]benzotetrathiine?
The IUPAC name of naphtho[1,2-h][1,2,3,4]benzotetrathiine (CID 141291373) is naphtho[1,2-h][1,2,3,4]benzotetrathiine.
What is the SMILES notation for naphtho[1,2-h][1,2,3,4]benzotetrathiine?
The canonical SMILES for naphtho[1,2-h][1,2,3,4]benzotetrathiine is c1ccc2c(c1)ccc1c2ccc2ssssc21.
What is the InChIKey of naphtho[1,2-h][1,2,3,4]benzotetrathiine?
The InChIKey is WPXVKVMWINKOSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8S4/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-14(12)16-18-17-15-13/h1-8H.
What are the key properties of naphtho[1,2-h][1,2,3,4]benzotetrathiine?
naphtho[1,2-h][1,2,3,4]benzotetrathiine has a molecular weight of 304.49 g/mol, XLogP of 6.52, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[1,2-h][1,2,3,4]benzotetrathiine is sourced from PubChem (CID 141291373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).