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

C6H9NS — CID 23559727

IUPAC2,3-dimethyl-4H-1,4-thiazine
SMILESCC1=C(C)SC=CN1
InChIInChI=1S/C6H9NS/c1-5-6(2)8-4-3-7-5/h3-4,7H,1-2H3
InChIKeyVALXZDWKPYUFJD-UHFFFAOYSA-N
MW127.21 g/mol
LogP2.05
Rot. Bonds

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

2,3-dimethyl-4H-1,4-thiazine (PubChem CID 23559727) has the molecular formula C6H9NS and a molecular weight of 127.21 g/mol. Its IUPAC name is 2,3-dimethyl-4H-1,4-thiazine.

Molecular Properties

Compound Name2,3-dimethyl-4H-1,4-thiazine
PubChem CID23559727
Molecular FormulaC6H9NS
Molecular Weight127.21 g/mol
Exact Mass127.05
IUPAC Name2,3-dimethyl-4H-1,4-thiazine
SMILESCC1=C(C)SC=CN1
InChIInChI=1S/C6H9NS/c1-5-6(2)8-4-3-7-5/h3-4,7H,1-2H3
InChIKeyVALXZDWKPYUFJD-UHFFFAOYSA-N
XLogP2.05
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.21
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-4H-1,4-thiazine?
The IUPAC name of 2,3-dimethyl-4H-1,4-thiazine (CID 23559727) is 2,3-dimethyl-4H-1,4-thiazine.
What is the SMILES notation for 2,3-dimethyl-4H-1,4-thiazine?
The canonical SMILES for 2,3-dimethyl-4H-1,4-thiazine is CC1=C(C)SC=CN1.
What is the InChIKey of 2,3-dimethyl-4H-1,4-thiazine?
The InChIKey is VALXZDWKPYUFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS/c1-5-6(2)8-4-3-7-5/h3-4,7H,1-2H3.
What are the key properties of 2,3-dimethyl-4H-1,4-thiazine?
2,3-dimethyl-4H-1,4-thiazine has a molecular weight of 127.21 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-4H-1,4-thiazine is sourced from PubChem (CID 23559727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).