9-chlorobenzo[f][1,2,3]benzodithiazol-4-one

C10H4ClNOS2 — CID 102094781

IUPAC9-chlorobenzo[f][1,2,3]benzodithiazol-4-one
SMILESO=c1c2nssc-2c(Cl)c2ccccc12
InChIInChI=1S/C10H4ClNOS2/c11-7-5-3-1-2-4-6(5)9(13)8-10(7)14-15-12-8/h1-4H
InChIKeyNAXXTORZJVEHRJ-UHFFFAOYSA-N
MW253.74 g/mol
LogP3.48
Rot. Bonds

About 9-chlorobenzo[f][1,2,3]benzodithiazol-4-one

9-chlorobenzo[f][1,2,3]benzodithiazol-4-one (PubChem CID 102094781) has the molecular formula C10H4ClNOS2 and a molecular weight of 253.74 g/mol. Its IUPAC name is 9-chlorobenzo[f][1,2,3]benzodithiazol-4-one.

Molecular Properties

Compound Name9-chlorobenzo[f][1,2,3]benzodithiazol-4-one
PubChem CID102094781
Molecular FormulaC10H4ClNOS2
Molecular Weight253.74 g/mol
Exact Mass252.94
IUPAC Name9-chlorobenzo[f][1,2,3]benzodithiazol-4-one
SMILESO=c1c2nssc-2c(Cl)c2ccccc12
InChIInChI=1S/C10H4ClNOS2/c11-7-5-3-1-2-4-6(5)9(13)8-10(7)14-15-12-8/h1-4H
InChIKeyNAXXTORZJVEHRJ-UHFFFAOYSA-N
XLogP3.48
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-chlorobenzo[f][1,2,3]benzodithiazol-4-one?
The IUPAC name of 9-chlorobenzo[f][1,2,3]benzodithiazol-4-one (CID 102094781) is 9-chlorobenzo[f][1,2,3]benzodithiazol-4-one.
What is the SMILES notation for 9-chlorobenzo[f][1,2,3]benzodithiazol-4-one?
The canonical SMILES for 9-chlorobenzo[f][1,2,3]benzodithiazol-4-one is O=c1c2nssc-2c(Cl)c2ccccc12.
What is the InChIKey of 9-chlorobenzo[f][1,2,3]benzodithiazol-4-one?
The InChIKey is NAXXTORZJVEHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4ClNOS2/c11-7-5-3-1-2-4-6(5)9(13)8-10(7)14-15-12-8/h1-4H.
What are the key properties of 9-chlorobenzo[f][1,2,3]benzodithiazol-4-one?
9-chlorobenzo[f][1,2,3]benzodithiazol-4-one has a molecular weight of 253.74 g/mol, XLogP of 3.48, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chlorobenzo[f][1,2,3]benzodithiazol-4-one is sourced from PubChem (CID 102094781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).