benzo[c][1,2]benzodithiine

C12H8S2 — CID 5257210

IUPACbenzo[c][1,2]benzodithiine
SMILESc1ccc2c(c1)SSc1ccccc1-2
InChIInChI=1S/C12H8S2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H
InChIKeyGYVHEQGWDJVMAU-UHFFFAOYSA-N
MW216.33 g/mol
LogP4.47
Rot. Bonds

About benzo[c][1,2]benzodithiine

benzo[c][1,2]benzodithiine (PubChem CID 5257210) has the molecular formula C12H8S2 and a molecular weight of 216.33 g/mol. Its IUPAC name is benzo[c][1,2]benzodithiine.

Molecular Properties

Compound Namebenzo[c][1,2]benzodithiine
PubChem CID5257210
Molecular FormulaC12H8S2
Molecular Weight216.33 g/mol
Exact Mass216.01
IUPAC Namebenzo[c][1,2]benzodithiine
SMILESc1ccc2c(c1)SSc1ccccc1-2
InChIInChI=1S/C12H8S2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H
InChIKeyGYVHEQGWDJVMAU-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzo[c][1,2]benzodithiine?
The IUPAC name of benzo[c][1,2]benzodithiine (CID 5257210) is benzo[c][1,2]benzodithiine.
What is the SMILES notation for benzo[c][1,2]benzodithiine?
The canonical SMILES for benzo[c][1,2]benzodithiine is c1ccc2c(c1)SSc1ccccc1-2.
What is the InChIKey of benzo[c][1,2]benzodithiine?
The InChIKey is GYVHEQGWDJVMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8S2/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)14-13-11/h1-8H.
What are the key properties of benzo[c][1,2]benzodithiine?
benzo[c][1,2]benzodithiine has a molecular weight of 216.33 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[c][1,2]benzodithiine is sourced from PubChem (CID 5257210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).