2,5-dimethyl-2H-1,3-thiazine;ethane

C8H15NS — CID 143985701

IUPAC2,5-dimethyl-2H-1,3-thiazine;ethane
SMILESCC.CC1=CSC(C)N=C1
InChIInChI=1S/C6H9NS.C2H6/c1-5-3-7-6(2)8-4-5;1-2/h3-4,6H,1-2H3;1-2H3
InChIKeyPYNKVGLYLOIGIW-UHFFFAOYSA-N
MW157.28 g/mol
LogP3.08
Rot. Bonds

About 2,5-dimethyl-2H-1,3-thiazine;ethane

2,5-dimethyl-2H-1,3-thiazine;ethane (PubChem CID 143985701) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 2,5-dimethyl-2H-1,3-thiazine;ethane.

Molecular Properties

Compound Name2,5-dimethyl-2H-1,3-thiazine;ethane
PubChem CID143985701
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name2,5-dimethyl-2H-1,3-thiazine;ethane
SMILESCC.CC1=CSC(C)N=C1
InChIInChI=1S/C6H9NS.C2H6/c1-5-3-7-6(2)8-4-5;1-2/h3-4,6H,1-2H3;1-2H3
InChIKeyPYNKVGLYLOIGIW-UHFFFAOYSA-N
XLogP3.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-2-(2-methylprop-1-enylsulfanyl)prop-2-en-1-imine
CID 91360224
N-(2-methylprop-1-enyl)-2-methylsulfanylprop-2-en-1-imine
CID 123521389
2,5-dimethyl-2H-1,3-thiazine
CID 143985702
2-[[(E)-but-2-en-2-yl]sulfanylmethyl]-N-methylprop-2-en-1-imine
CID 164948353

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-2H-1,3-thiazine;ethane?
The IUPAC name of 2,5-dimethyl-2H-1,3-thiazine;ethane (CID 143985701) is 2,5-dimethyl-2H-1,3-thiazine;ethane.
What is the SMILES notation for 2,5-dimethyl-2H-1,3-thiazine;ethane?
The canonical SMILES for 2,5-dimethyl-2H-1,3-thiazine;ethane is CC.CC1=CSC(C)N=C1.
What is the InChIKey of 2,5-dimethyl-2H-1,3-thiazine;ethane?
The InChIKey is PYNKVGLYLOIGIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS.C2H6/c1-5-3-7-6(2)8-4-5;1-2/h3-4,6H,1-2H3;1-2H3.
What are the key properties of 2,5-dimethyl-2H-1,3-thiazine;ethane?
2,5-dimethyl-2H-1,3-thiazine;ethane has a molecular weight of 157.28 g/mol, XLogP of 3.08, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-2H-1,3-thiazine;ethane is sourced from PubChem (CID 143985701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).