8-bromo-2-methyl-3,4-dihydro-2H-1,4-benzothiazine

C9H10BrNS — CID 71742733

IUPAC8-bromo-2-methyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCC1CNc2cccc(Br)c2S1
InChIInChI=1S/C9H10BrNS/c1-6-5-11-8-4-2-3-7(10)9(8)12-6/h2-4,6,11H,5H2,1H3
InChIKeyTUHHWWCOLKIZRF-UHFFFAOYSA-N
MW244.16 g/mol
LogP3.36
Rot. Bonds

About 8-bromo-2-methyl-3,4-dihydro-2H-1,4-benzothiazine

8-bromo-2-methyl-3,4-dihydro-2H-1,4-benzothiazine (PubChem CID 71742733) has the molecular formula C9H10BrNS and a molecular weight of 244.16 g/mol. Its IUPAC name is 8-bromo-2-methyl-3,4-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name8-bromo-2-methyl-3,4-dihydro-2H-1,4-benzothiazine
PubChem CID71742733
Molecular FormulaC9H10BrNS
Molecular Weight244.16 g/mol
Exact Mass242.97
IUPAC Name8-bromo-2-methyl-3,4-dihydro-2H-1,4-benzothiazine
SMILESCC1CNc2cccc(Br)c2S1
InChIInChI=1S/C9H10BrNS/c1-6-5-11-8-4-2-3-7(10)9(8)12-6/h2-4,6,11H,5H2,1H3
InChIKeyTUHHWWCOLKIZRF-UHFFFAOYSA-N
XLogP3.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 8-bromo-2-methyl-3,4-dihydro-2H-1,4-benzothiazine (CID 71742733) is 8-bromo-2-methyl-3,4-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 8-bromo-2-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 8-bromo-2-methyl-3,4-dihydro-2H-1,4-benzothiazine is CC1CNc2cccc(Br)c2S1.
What is the InChIKey of 8-bromo-2-methyl-3,4-dihydro-2H-1,4-benzothiazine?
The InChIKey is TUHHWWCOLKIZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNS/c1-6-5-11-8-4-2-3-7(10)9(8)12-6/h2-4,6,11H,5H2,1H3.
What are the key properties of 8-bromo-2-methyl-3,4-dihydro-2H-1,4-benzothiazine?
8-bromo-2-methyl-3,4-dihydro-2H-1,4-benzothiazine has a molecular weight of 244.16 g/mol, XLogP of 3.36, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-methyl-3,4-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 71742733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).