thianthrene

C12H8S2 — CID 7109

IUPACthianthrene
SMILESc1ccc2c(c1)Sc1ccccc1S2
InChIInChI=1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
InChIKeyGVIJJXMXTUZIOD-UHFFFAOYSA-N
MW216.33 g/mol
LogP4.30
Rot. Bonds

About thianthrene

thianthrene (PubChem CID 7109) has the molecular formula C12H8S2 and a molecular weight of 216.33 g/mol. Its IUPAC name is thianthrene.

Molecular Properties

Compound Namethianthrene
PubChem CID7109
Molecular FormulaC12H8S2
Molecular Weight216.33 g/mol
Exact Mass216.01
IUPAC Namethianthrene
SMILESc1ccc2c(c1)Sc1ccccc1S2
InChIInChI=1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
InChIKeyGVIJJXMXTUZIOD-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of thianthrene?
The IUPAC name of thianthrene (CID 7109) is thianthrene.
What is the SMILES notation for thianthrene?
The canonical SMILES for thianthrene is c1ccc2c(c1)Sc1ccccc1S2.
What is the InChIKey of thianthrene?
The InChIKey is GVIJJXMXTUZIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8S2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H.
What are the key properties of thianthrene?
thianthrene has a molecular weight of 216.33 g/mol, XLogP of 4.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for thianthrene is sourced from PubChem (CID 7109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).