4-chloro-9-fluoro-[1]benzothiolo[3,2-d]triazine

C9H3ClFN3S — CID 152778792

IUPAC4-chloro-9-fluoro-[1]benzothiolo[3,2-d]triazine
SMILESFc1cccc2sc3c(Cl)nnnc3c12
InChIInChI=1S/C9H3ClFN3S/c10-9-8-7(12-14-13-9)6-4(11)2-1-3-5(6)15-8/h1-3H
InChIKeyIFLLVKNLQHLDPM-UHFFFAOYSA-N
MW239.66 g/mol
LogP3.03
Rot. Bonds

About 4-chloro-9-fluoro-[1]benzothiolo[3,2-d]triazine

4-chloro-9-fluoro-[1]benzothiolo[3,2-d]triazine (PubChem CID 152778792) has the molecular formula C9H3ClFN3S and a molecular weight of 239.66 g/mol. Its IUPAC name is 4-chloro-9-fluoro-[1]benzothiolo[3,2-d]triazine.

Molecular Properties

Compound Name4-chloro-9-fluoro-[1]benzothiolo[3,2-d]triazine
PubChem CID152778792
Molecular FormulaC9H3ClFN3S
Molecular Weight239.66 g/mol
Exact Mass238.97
IUPAC Name4-chloro-9-fluoro-[1]benzothiolo[3,2-d]triazine
SMILESFc1cccc2sc3c(Cl)nnnc3c12
InChIInChI=1S/C9H3ClFN3S/c10-9-8-7(12-14-13-9)6-4(11)2-1-3-5(6)15-8/h1-3H
InChIKeyIFLLVKNLQHLDPM-UHFFFAOYSA-N
XLogP3.03
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-9-fluoro-[1]benzothiolo[3,2-d]triazine?
The IUPAC name of 4-chloro-9-fluoro-[1]benzothiolo[3,2-d]triazine (CID 152778792) is 4-chloro-9-fluoro-[1]benzothiolo[3,2-d]triazine.
What is the SMILES notation for 4-chloro-9-fluoro-[1]benzothiolo[3,2-d]triazine?
The canonical SMILES for 4-chloro-9-fluoro-[1]benzothiolo[3,2-d]triazine is Fc1cccc2sc3c(Cl)nnnc3c12.
What is the InChIKey of 4-chloro-9-fluoro-[1]benzothiolo[3,2-d]triazine?
The InChIKey is IFLLVKNLQHLDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3ClFN3S/c10-9-8-7(12-14-13-9)6-4(11)2-1-3-5(6)15-8/h1-3H.
What are the key properties of 4-chloro-9-fluoro-[1]benzothiolo[3,2-d]triazine?
4-chloro-9-fluoro-[1]benzothiolo[3,2-d]triazine has a molecular weight of 239.66 g/mol, XLogP of 3.03, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-9-fluoro-[1]benzothiolo[3,2-d]triazine is sourced from PubChem (CID 152778792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).