tetracene-2,8-dithiol

C18H12S2 — CID 101365103

IUPACtetracene-2,8-dithiol
SMILESSc1ccc2cc3cc4cc(S)ccc4cc3cc2c1
InChIInChI=1S/C18H12S2/c19-17-3-1-11-5-13-8-16-10-18(20)4-2-12(16)6-14(13)7-15(11)9-17/h1-10,19-20H
InChIKeyCUPLRXWYWAEFIK-UHFFFAOYSA-N
MW292.43 g/mol
LogP5.72
Rot. Bonds

About tetracene-2,8-dithiol

tetracene-2,8-dithiol (PubChem CID 101365103) has the molecular formula C18H12S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is tetracene-2,8-dithiol.

Molecular Properties

Compound Nametetracene-2,8-dithiol
PubChem CID101365103
Molecular FormulaC18H12S2
Molecular Weight292.43 g/mol
Exact Mass292.04
IUPAC Nametetracene-2,8-dithiol
SMILESSc1ccc2cc3cc4cc(S)ccc4cc3cc2c1
InChIInChI=1S/C18H12S2/c19-17-3-1-11-5-13-8-16-10-18(20)4-2-12(16)6-14(13)7-15(11)9-17/h1-10,19-20H
InChIKeyCUPLRXWYWAEFIK-UHFFFAOYSA-N
XLogP5.72
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.43
LogP ≤ 55.72
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 tetracene-2,8-dithiol?
The IUPAC name of tetracene-2,8-dithiol (CID 101365103) is tetracene-2,8-dithiol.
What is the SMILES notation for tetracene-2,8-dithiol?
The canonical SMILES for tetracene-2,8-dithiol is Sc1ccc2cc3cc4cc(S)ccc4cc3cc2c1.
What is the InChIKey of tetracene-2,8-dithiol?
The InChIKey is CUPLRXWYWAEFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12S2/c19-17-3-1-11-5-13-8-16-10-18(20)4-2-12(16)6-14(13)7-15(11)9-17/h1-10,19-20H.
What are the key properties of tetracene-2,8-dithiol?
tetracene-2,8-dithiol has a molecular weight of 292.43 g/mol, XLogP of 5.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tetracene-2,8-dithiol is sourced from PubChem (CID 101365103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).