anthracene-9,10-dithiol

C14H10S2 — CID 849498

IUPACanthracene-9,10-dithiol
SMILESSc1c2ccccc2c(S)c2ccccc12
InChIInChI=1S/C14H10S2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8,15-16H
InChIKeyQHWTVIYSEHVEKU-UHFFFAOYSA-N
MW242.37 g/mol
LogP4.57
Rot. Bonds

About anthracene-9,10-dithiol

anthracene-9,10-dithiol (PubChem CID 849498) has the molecular formula C14H10S2 and a molecular weight of 242.37 g/mol. Its IUPAC name is anthracene-9,10-dithiol.

Molecular Properties

Compound Nameanthracene-9,10-dithiol
PubChem CID849498
Molecular FormulaC14H10S2
Molecular Weight242.37 g/mol
Exact Mass242.02
IUPAC Nameanthracene-9,10-dithiol
SMILESSc1c2ccccc2c(S)c2ccccc12
InChIInChI=1S/C14H10S2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8,15-16H
InChIKeyQHWTVIYSEHVEKU-UHFFFAOYSA-N
XLogP4.57
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of anthracene-9,10-dithiol?
The IUPAC name of anthracene-9,10-dithiol (CID 849498) is anthracene-9,10-dithiol.
What is the SMILES notation for anthracene-9,10-dithiol?
The canonical SMILES for anthracene-9,10-dithiol is Sc1c2ccccc2c(S)c2ccccc12.
What is the InChIKey of anthracene-9,10-dithiol?
The InChIKey is QHWTVIYSEHVEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10S2/c15-13-9-5-1-2-6-10(9)14(16)12-8-4-3-7-11(12)13/h1-8,15-16H.
What are the key properties of anthracene-9,10-dithiol?
anthracene-9,10-dithiol has a molecular weight of 242.37 g/mol, XLogP of 4.57, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anthracene-9,10-dithiol is sourced from PubChem (CID 849498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).