6-methyl-4H-1,3-thiazine

C5H7NS — CID 91456467

IUPAC6-methyl-4H-1,3-thiazine
SMILESCC1=CCN=CS1
InChIInChI=1S/C5H7NS/c1-5-2-3-6-4-7-5/h2,4H,3H2,1H3
InChIKeyGEQHPNNZJVEZDG-UHFFFAOYSA-N
MW113.18 g/mol
LogP1.67
Rot. Bonds

About 6-methyl-4H-1,3-thiazine

6-methyl-4H-1,3-thiazine (PubChem CID 91456467) has the molecular formula C5H7NS and a molecular weight of 113.18 g/mol. Its IUPAC name is 6-methyl-4H-1,3-thiazine.

Molecular Properties

Compound Name6-methyl-4H-1,3-thiazine
PubChem CID91456467
Molecular FormulaC5H7NS
Molecular Weight113.18 g/mol
Exact Mass113.03
IUPAC Name6-methyl-4H-1,3-thiazine
SMILESCC1=CCN=CS1
InChIInChI=1S/C5H7NS/c1-5-2-3-6-4-7-5/h2,4H,3H2,1H3
InChIKeyGEQHPNNZJVEZDG-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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4H-1,3-thiazine?
The IUPAC name of 6-methyl-4H-1,3-thiazine (CID 91456467) is 6-methyl-4H-1,3-thiazine.
What is the SMILES notation for 6-methyl-4H-1,3-thiazine?
The canonical SMILES for 6-methyl-4H-1,3-thiazine is CC1=CCN=CS1.
What is the InChIKey of 6-methyl-4H-1,3-thiazine?
The InChIKey is GEQHPNNZJVEZDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NS/c1-5-2-3-6-4-7-5/h2,4H,3H2,1H3.
What are the key properties of 6-methyl-4H-1,3-thiazine?
6-methyl-4H-1,3-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 6-methyl-4H-1,3-thiazine is sourced from PubChem (CID 91456467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).