5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine

C6H11NS — CID 55287759

IUPAC5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine
SMILESCC1=C(C)SCCN1
InChIInChI=1S/C6H11NS/c1-5-6(2)8-4-3-7-5/h7H,3-4H2,1-2H3
InChIKeyWRIRPWYJLBOOEZ-UHFFFAOYSA-N
MW129.23 g/mol
LogP1.57
Rot. Bonds

About 5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine

5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine (PubChem CID 55287759) has the molecular formula C6H11NS and a molecular weight of 129.23 g/mol. Its IUPAC name is 5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine.

Molecular Properties

Compound Name5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine
PubChem CID55287759
Molecular FormulaC6H11NS
Molecular Weight129.23 g/mol
Exact Mass129.06
IUPAC Name5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine
SMILESCC1=C(C)SCCN1
InChIInChI=1S/C6H11NS/c1-5-6(2)8-4-3-7-5/h7H,3-4H2,1-2H3
InChIKeyWRIRPWYJLBOOEZ-UHFFFAOYSA-N
XLogP1.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.23
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine?
The IUPAC name of 5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine (CID 55287759) is 5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine.
What is the SMILES notation for 5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine?
The canonical SMILES for 5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine is CC1=C(C)SCCN1.
What is the InChIKey of 5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine?
The InChIKey is WRIRPWYJLBOOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NS/c1-5-6(2)8-4-3-7-5/h7H,3-4H2,1-2H3.
What are the key properties of 5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine?
5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine has a molecular weight of 129.23 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3,4-dihydro-2H-1,4-thiazine is sourced from PubChem (CID 55287759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).