5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine

C9H13NS — CID 142222940

IUPAC5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine
SMILESC=CC1=C(C=C)N(C)CCS1
InChIInChI=1S/C9H13NS/c1-4-8-9(5-2)11-7-6-10(8)3/h4-5H,1-2,6-7H2,3H3
InChIKeyVKAQXUZEMGHKGK-UHFFFAOYSA-N
MW167.28 g/mol
LogP2.25
Rot. Bonds2

About 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine

5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine (PubChem CID 142222940) has the molecular formula C9H13NS and a molecular weight of 167.28 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine.

Molecular Properties

Compound Name5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine
PubChem CID142222940
Molecular FormulaC9H13NS
Molecular Weight167.28 g/mol
Exact Mass167.08
IUPAC Name5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine
SMILESC=CC1=C(C=C)N(C)CCS1
InChIInChI=1S/C9H13NS/c1-4-8-9(5-2)11-7-6-10(8)3/h4-5H,1-2,6-7H2,3H3
InChIKeyVKAQXUZEMGHKGK-UHFFFAOYSA-N
XLogP2.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine?
The IUPAC name of 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine (CID 142222940) is 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine.
What is the SMILES notation for 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine?
The canonical SMILES for 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine is C=CC1=C(C=C)N(C)CCS1.
What is the InChIKey of 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine?
The InChIKey is VKAQXUZEMGHKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NS/c1-4-8-9(5-2)11-7-6-10(8)3/h4-5H,1-2,6-7H2,3H3.
What are the key properties of 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine?
5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine has a molecular weight of 167.28 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-thiazine is sourced from PubChem (CID 142222940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).