3,5-dimethyl-6H-thiazine;ethane

C8H15NS — CID 165130290

IUPAC3,5-dimethyl-6H-thiazine;ethane
SMILESCC.CC1=CC(C)=NSC1
InChIInChI=1S/C6H9NS.C2H6/c1-5-3-6(2)7-8-4-5;1-2/h3H,4H2,1-2H3;1-2H3
InChIKeyKZMUFLRZAPRSAA-UHFFFAOYSA-N
MW157.28 g/mol
LogP3.08
Rot. Bonds

About 3,5-dimethyl-6H-thiazine;ethane

3,5-dimethyl-6H-thiazine;ethane (PubChem CID 165130290) has the molecular formula C8H15NS and a molecular weight of 157.28 g/mol. Its IUPAC name is 3,5-dimethyl-6H-thiazine;ethane.

Molecular Properties

Compound Name3,5-dimethyl-6H-thiazine;ethane
PubChem CID165130290
Molecular FormulaC8H15NS
Molecular Weight157.28 g/mol
Exact Mass157.09
IUPAC Name3,5-dimethyl-6H-thiazine;ethane
SMILESCC.CC1=CC(C)=NSC1
InChIInChI=1S/C6H9NS.C2H6/c1-5-3-6(2)7-8-4-5;1-2/h3H,4H2,1-2H3;1-2H3
InChIKeyKZMUFLRZAPRSAA-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3,4,5-Trimethyl-6,7-dihydrothiazepine
CID 121354022
3-methyl-N-methylsulfanylpent-3-en-2-imine
CID 123885621
3,6-dimethyl-6H-thiazine
CID 148599841
3,4,5,6-Tetramethylthiazepine
CID 175359734
3,5-dimethyl-6H-thiazine
CID 165130291

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-6H-thiazine;ethane?
The IUPAC name of 3,5-dimethyl-6H-thiazine;ethane (CID 165130290) is 3,5-dimethyl-6H-thiazine;ethane.
What is the SMILES notation for 3,5-dimethyl-6H-thiazine;ethane?
The canonical SMILES for 3,5-dimethyl-6H-thiazine;ethane is CC.CC1=CC(C)=NSC1.
What is the InChIKey of 3,5-dimethyl-6H-thiazine;ethane?
The InChIKey is KZMUFLRZAPRSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NS.C2H6/c1-5-3-6(2)7-8-4-5;1-2/h3H,4H2,1-2H3;1-2H3.
What are the key properties of 3,5-dimethyl-6H-thiazine;ethane?
3,5-dimethyl-6H-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 3,5-dimethyl-6H-thiazine;ethane is sourced from PubChem (CID 165130290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).