4,5-bis(ethenyl)-3-methyl-6H-1,3-thiazin-2-one;ethane

C11H17NOS — CID 143838750

IUPAC4,5-bis(ethenyl)-3-methyl-6H-1,3-thiazin-2-one;ethane
SMILESC=CC1=C(C=C)N(C)C(=O)SC1.CC
InChIInChI=1S/C9H11NOS.C2H6/c1-4-7-6-12-9(11)10(3)8(7)5-2;1-2/h4-5H,1-2,6H2,3H3;1-2H3
InChIKeyPMMFWSZDDBYKIL-UHFFFAOYSA-N
MW211.33 g/mol
LogP3.44
Rot. Bonds2

About 4,5-bis(ethenyl)-3-methyl-6H-1,3-thiazin-2-one;ethane

4,5-bis(ethenyl)-3-methyl-6H-1,3-thiazin-2-one;ethane (PubChem CID 143838750) has the molecular formula C11H17NOS and a molecular weight of 211.33 g/mol. Its IUPAC name is 4,5-bis(ethenyl)-3-methyl-6H-1,3-thiazin-2-one;ethane.

Molecular Properties

Compound Name4,5-bis(ethenyl)-3-methyl-6H-1,3-thiazin-2-one;ethane
PubChem CID143838750
Molecular FormulaC11H17NOS
Molecular Weight211.33 g/mol
Exact Mass211.10
IUPAC Name4,5-bis(ethenyl)-3-methyl-6H-1,3-thiazin-2-one;ethane
SMILESC=CC1=C(C=C)N(C)C(=O)SC1.CC
InChIInChI=1S/C9H11NOS.C2H6/c1-4-7-6-12-9(11)10(3)8(7)5-2;1-2/h4-5H,1-2,6H2,3H3;1-2H3
InChIKeyPMMFWSZDDBYKIL-UHFFFAOYSA-N
XLogP3.44
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.33
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-bis(ethenyl)-3-methyl-6H-1,3-thiazin-2-one;ethane?
The IUPAC name of 4,5-bis(ethenyl)-3-methyl-6H-1,3-thiazin-2-one;ethane (CID 143838750) is 4,5-bis(ethenyl)-3-methyl-6H-1,3-thiazin-2-one;ethane.
What is the SMILES notation for 4,5-bis(ethenyl)-3-methyl-6H-1,3-thiazin-2-one;ethane?
The canonical SMILES for 4,5-bis(ethenyl)-3-methyl-6H-1,3-thiazin-2-one;ethane is C=CC1=C(C=C)N(C)C(=O)SC1.CC.
What is the InChIKey of 4,5-bis(ethenyl)-3-methyl-6H-1,3-thiazin-2-one;ethane?
The InChIKey is PMMFWSZDDBYKIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NOS.C2H6/c1-4-7-6-12-9(11)10(3)8(7)5-2;1-2/h4-5H,1-2,6H2,3H3;1-2H3.
What are the key properties of 4,5-bis(ethenyl)-3-methyl-6H-1,3-thiazin-2-one;ethane?
4,5-bis(ethenyl)-3-methyl-6H-1,3-thiazin-2-one;ethane has a molecular weight of 211.33 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(ethenyl)-3-methyl-6H-1,3-thiazin-2-one;ethane is sourced from PubChem (CID 143838750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).