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

C8H11NS — CID 163805346

IUPAC5-ethenyl-3,6-dimethyl-2H-1,4-thiazine
SMILESC=CC1=C(C)SCC(C)=N1
InChIInChI=1S/C8H11NS/c1-4-8-7(3)10-5-6(2)9-8/h4H,1,5H2,2-3H3
InChIKeyNIOBLQFBMMQIQD-UHFFFAOYSA-N
MW153.25 g/mol
LogP2.61
Rot. Bonds1

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

5-ethenyl-3,6-dimethyl-2H-1,4-thiazine (PubChem CID 163805346) has the molecular formula C8H11NS and a molecular weight of 153.25 g/mol. Its IUPAC name is 5-ethenyl-3,6-dimethyl-2H-1,4-thiazine.

Molecular Properties

Compound Name5-ethenyl-3,6-dimethyl-2H-1,4-thiazine
PubChem CID163805346
Molecular FormulaC8H11NS
Molecular Weight153.25 g/mol
Exact Mass153.06
IUPAC Name5-ethenyl-3,6-dimethyl-2H-1,4-thiazine
SMILESC=CC1=C(C)SCC(C)=N1
InChIInChI=1S/C8H11NS/c1-4-8-7(3)10-5-6(2)9-8/h4H,1,5H2,2-3H3
InChIKeyNIOBLQFBMMQIQD-UHFFFAOYSA-N
XLogP2.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-3,6-dimethyl-2H-1,4-thiazine?
The IUPAC name of 5-ethenyl-3,6-dimethyl-2H-1,4-thiazine (CID 163805346) is 5-ethenyl-3,6-dimethyl-2H-1,4-thiazine.
What is the SMILES notation for 5-ethenyl-3,6-dimethyl-2H-1,4-thiazine?
The canonical SMILES for 5-ethenyl-3,6-dimethyl-2H-1,4-thiazine is C=CC1=C(C)SCC(C)=N1.
What is the InChIKey of 5-ethenyl-3,6-dimethyl-2H-1,4-thiazine?
The InChIKey is NIOBLQFBMMQIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NS/c1-4-8-7(3)10-5-6(2)9-8/h4H,1,5H2,2-3H3.
What are the key properties of 5-ethenyl-3,6-dimethyl-2H-1,4-thiazine?
5-ethenyl-3,6-dimethyl-2H-1,4-thiazine has a molecular weight of 153.25 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-3,6-dimethyl-2H-1,4-thiazine is sourced from PubChem (CID 163805346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).