7-methyl-2H-1,4-benzothiazine

C9H9NS — CID 143483428

IUPAC7-methyl-2H-1,4-benzothiazine
SMILESCc1ccc2c(c1)SCC=N2
InChIInChI=1S/C9H9NS/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-4,6H,5H2,1H3
InChIKeyDFZZQGUTDQDRPD-UHFFFAOYSA-N
MW163.24 g/mol
LogP2.80
Rot. Bonds

About 7-methyl-2H-1,4-benzothiazine

7-methyl-2H-1,4-benzothiazine (PubChem CID 143483428) has the molecular formula C9H9NS and a molecular weight of 163.24 g/mol. Its IUPAC name is 7-methyl-2H-1,4-benzothiazine.

Molecular Properties

Compound Name7-methyl-2H-1,4-benzothiazine
PubChem CID143483428
Molecular FormulaC9H9NS
Molecular Weight163.24 g/mol
Exact Mass163.05
IUPAC Name7-methyl-2H-1,4-benzothiazine
SMILESCc1ccc2c(c1)SCC=N2
InChIInChI=1S/C9H9NS/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-4,6H,5H2,1H3
InChIKeyDFZZQGUTDQDRPD-UHFFFAOYSA-N
XLogP2.80
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.24
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2H-1,4-benzothiazine?
The IUPAC name of 7-methyl-2H-1,4-benzothiazine (CID 143483428) is 7-methyl-2H-1,4-benzothiazine.
What is the SMILES notation for 7-methyl-2H-1,4-benzothiazine?
The canonical SMILES for 7-methyl-2H-1,4-benzothiazine is Cc1ccc2c(c1)SCC=N2.
What is the InChIKey of 7-methyl-2H-1,4-benzothiazine?
The InChIKey is DFZZQGUTDQDRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NS/c1-7-2-3-8-9(6-7)11-5-4-10-8/h2-4,6H,5H2,1H3.
What are the key properties of 7-methyl-2H-1,4-benzothiazine?
7-methyl-2H-1,4-benzothiazine has a molecular weight of 163.24 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2H-1,4-benzothiazine is sourced from PubChem (CID 143483428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).