3,6-dimethyl-2H-1,4-thiazine

C6H9NS — CID 123161431

IUPAC3,6-dimethyl-2H-1,4-thiazine
SMILESCC1=CN=C(C)CS1
InChIInChI=1S/C6H9NS/c1-5-4-8-6(2)3-7-5/h3H,4H2,1-2H3
InChIKeyORCKIUWKFSIZKE-UHFFFAOYSA-N
MW127.21 g/mol
LogP2.06
Rot. Bonds

About 3,6-dimethyl-2H-1,4-thiazine

3,6-dimethyl-2H-1,4-thiazine (PubChem CID 123161431) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 3,6-dimethyl-2H-1,4-thiazine.

Molecular Properties

Compound Name3,6-dimethyl-2H-1,4-thiazine
PubChem CID123161431
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name3,6-dimethyl-2H-1,4-thiazine
SMILESCC1=CN=C(C)CS1
InChIInChI=1S/C6H9NS/c1-5-4-8-6(2)3-7-5/h3H,4H2,1-2H3
InChIKeyORCKIUWKFSIZKE-UHFFFAOYSA-N
XLogP2.06
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-2H-1,4-thiazine?
The IUPAC name of 3,6-dimethyl-2H-1,4-thiazine (CID 123161431) is 3,6-dimethyl-2H-1,4-thiazine.
What is the SMILES notation for 3,6-dimethyl-2H-1,4-thiazine?
The canonical SMILES for 3,6-dimethyl-2H-1,4-thiazine is CC1=CN=C(C)CS1.
What is the InChIKey of 3,6-dimethyl-2H-1,4-thiazine?
The InChIKey is ORCKIUWKFSIZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-5-4-8-6(2)3-7-5/h3H,4H2,1-2H3.
What are the key properties of 3,6-dimethyl-2H-1,4-thiazine?
3,6-dimethyl-2H-1,4-thiazine has a molecular weight of 127.21 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-2H-1,4-thiazine is sourced from PubChem (CID 123161431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).