3-methyl-7,8-dihydro-2H-1,4-benzothiazine

C9H11NS — CID 143838540

IUPAC3-methyl-7,8-dihydro-2H-1,4-benzothiazine
SMILESCC1=NC2=C(CCC=C2)SC1
InChIInChI=1S/C9H11NS/c1-7-6-11-9-5-3-2-4-8(9)10-7/h2,4H,3,5-6H2,1H3
InChIKeyJHBLDLYRNUCLTO-UHFFFAOYSA-N
MW165.26 g/mol
LogP2.76
Rot. Bonds

About 3-methyl-7,8-dihydro-2H-1,4-benzothiazine

3-methyl-7,8-dihydro-2H-1,4-benzothiazine (PubChem CID 143838540) has the molecular formula C9H11NS and a molecular weight of 165.26 g/mol. Its IUPAC name is 3-methyl-7,8-dihydro-2H-1,4-benzothiazine.

Molecular Properties

Compound Name3-methyl-7,8-dihydro-2H-1,4-benzothiazine
PubChem CID143838540
Molecular FormulaC9H11NS
Molecular Weight165.26 g/mol
Exact Mass165.06
IUPAC Name3-methyl-7,8-dihydro-2H-1,4-benzothiazine
SMILESCC1=NC2=C(CCC=C2)SC1
InChIInChI=1S/C9H11NS/c1-7-6-11-9-5-3-2-4-8(9)10-7/h2,4H,3,5-6H2,1H3
InChIKeyJHBLDLYRNUCLTO-UHFFFAOYSA-N
XLogP2.76
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.26
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-Methyl-2,3-dihydrothiopyrano [3,2-b]indole
CID 129790774
7,11-Dithia-2-azatricyclo[8.4.0.03,8]tetradeca-1,3,5,8,13-pentaene
CID 70285539
3H-cyclohepta[b][1,4]benzothiazine;ethane
CID 144353694
N-(2-ethylsulfanylcyclohexa-1,5-dien-1-yl)methanimine
CID 145388228
3H-cyclohepta[b][1,4]benzothiazine
CID 144353695

Frequently Asked Questions

What is the IUPAC name of 3-methyl-7,8-dihydro-2H-1,4-benzothiazine?
The IUPAC name of 3-methyl-7,8-dihydro-2H-1,4-benzothiazine (CID 143838540) is 3-methyl-7,8-dihydro-2H-1,4-benzothiazine.
What is the SMILES notation for 3-methyl-7,8-dihydro-2H-1,4-benzothiazine?
The canonical SMILES for 3-methyl-7,8-dihydro-2H-1,4-benzothiazine is CC1=NC2=C(CCC=C2)SC1.
What is the InChIKey of 3-methyl-7,8-dihydro-2H-1,4-benzothiazine?
The InChIKey is JHBLDLYRNUCLTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NS/c1-7-6-11-9-5-3-2-4-8(9)10-7/h2,4H,3,5-6H2,1H3.
What are the key properties of 3-methyl-7,8-dihydro-2H-1,4-benzothiazine?
3-methyl-7,8-dihydro-2H-1,4-benzothiazine has a molecular weight of 165.26 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-7,8-dihydro-2H-1,4-benzothiazine is sourced from PubChem (CID 143838540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).