5-methyl-6H-thiazine

C5H7NS — CID 15543632

IUPAC5-methyl-6H-thiazine
SMILESCC1=CC=NSC1
InChIInChI=1S/C5H7NS/c1-5-2-3-6-7-4-5/h2-3H,4H2,1H3
InChIKeyBOMQTJWNAUYLJY-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.67
Rot. Bonds

About 5-methyl-6H-thiazine

5-methyl-6H-thiazine (PubChem CID 15543632) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 5-methyl-6H-thiazine.

Molecular Properties

Compound Name5-methyl-6H-thiazine
PubChem CID15543632
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name5-methyl-6H-thiazine
SMILESCC1=CC=NSC1
InChIInChI=1S/C5H7NS/c1-5-2-3-6-7-4-5/h2-3H,4H2,1H3
InChIKeyBOMQTJWNAUYLJY-UHFFFAOYSA-N
XLogP1.67
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.18
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-6H-thiazine?
The IUPAC name of 5-methyl-6H-thiazine (CID 15543632) is 5-methyl-6H-thiazine.
What is the SMILES notation for 5-methyl-6H-thiazine?
The canonical SMILES for 5-methyl-6H-thiazine is CC1=CC=NSC1.
What is the InChIKey of 5-methyl-6H-thiazine?
The InChIKey is BOMQTJWNAUYLJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-5-2-3-6-7-4-5/h2-3H,4H2,1H3.
What are the key properties of 5-methyl-6H-thiazine?
5-methyl-6H-thiazine has a molecular weight of 113.18 g/mol, XLogP of 1.67, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6H-thiazine is sourced from PubChem (CID 15543632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).