6-fluoro-3-methylsulfanyl-2H-1,4-benzothiazine

C9H8FNS2 — CID 23342018

IUPAC6-fluoro-3-methylsulfanyl-2H-1,4-benzothiazine
SMILESCSC1=Nc2cc(F)ccc2SC1
InChIInChI=1S/C9H8FNS2/c1-12-9-5-13-8-3-2-6(10)4-7(8)11-9/h2-4H,5H2,1H3
InChIKeyDKRFXOANCGTCQO-UHFFFAOYSA-N
MW213.30 g/mol
LogP3.32
Rot. Bonds

About 6-fluoro-3-methylsulfanyl-2H-1,4-benzothiazine

6-fluoro-3-methylsulfanyl-2H-1,4-benzothiazine (PubChem CID 23342018) has the molecular formula C9H8FNS2 and a molecular weight of 213.30 g/mol. Its IUPAC name is 6-fluoro-3-methylsulfanyl-2H-1,4-benzothiazine.

Molecular Properties

Compound Name6-fluoro-3-methylsulfanyl-2H-1,4-benzothiazine
PubChem CID23342018
Molecular FormulaC9H8FNS2
Molecular Weight213.30 g/mol
Exact Mass213.01
IUPAC Name6-fluoro-3-methylsulfanyl-2H-1,4-benzothiazine
SMILESCSC1=Nc2cc(F)ccc2SC1
InChIInChI=1S/C9H8FNS2/c1-12-9-5-13-8-3-2-6(10)4-7(8)11-9/h2-4H,5H2,1H3
InChIKeyDKRFXOANCGTCQO-UHFFFAOYSA-N
XLogP3.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.30
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-3-methylsulfanyl-2H-1,4-benzothiazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-methylsulfanyl-2H-1,4-benzothiazine?
The IUPAC name of 6-fluoro-3-methylsulfanyl-2H-1,4-benzothiazine (CID 23342018) is 6-fluoro-3-methylsulfanyl-2H-1,4-benzothiazine.
What is the SMILES notation for 6-fluoro-3-methylsulfanyl-2H-1,4-benzothiazine?
The canonical SMILES for 6-fluoro-3-methylsulfanyl-2H-1,4-benzothiazine is CSC1=Nc2cc(F)ccc2SC1.
What is the InChIKey of 6-fluoro-3-methylsulfanyl-2H-1,4-benzothiazine?
The InChIKey is DKRFXOANCGTCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNS2/c1-12-9-5-13-8-3-2-6(10)4-7(8)11-9/h2-4H,5H2,1H3.
What are the key properties of 6-fluoro-3-methylsulfanyl-2H-1,4-benzothiazine?
6-fluoro-3-methylsulfanyl-2H-1,4-benzothiazine has a molecular weight of 213.30 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-methylsulfanyl-2H-1,4-benzothiazine is sourced from PubChem (CID 23342018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).