2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine;molecular hydrogen

C13H15NS — CID 143411144

IUPAC2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine;molecular hydrogen
SMILESC=CC1=C(C=C)SC2=CCC=CC=C2N1.[H][H]
InChIInChI=1S/C13H13NS.H2/c1-3-10-12(4-2)15-13-9-7-5-6-8-11(13)14-10;/h3-6,8-9,14H,1-2,7H2;1H
InChIKeyKLKMVOWFJRRRGK-UHFFFAOYSA-N
MW217.34 g/mol
LogP3.88
Rot. Bonds2

About 2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine;molecular hydrogen

2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine;molecular hydrogen (PubChem CID 143411144) has the molecular formula C13H15NS and a molecular weight of 217.34 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine;molecular hydrogen.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine;molecular hydrogen
PubChem CID143411144
Molecular FormulaC13H15NS
Molecular Weight217.34 g/mol
Exact Mass217.09
IUPAC Name2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine;molecular hydrogen
SMILESC=CC1=C(C=C)SC2=CCC=CC=C2N1.[H][H]
InChIInChI=1S/C13H13NS.H2/c1-3-10-12(4-2)15-13-9-7-5-6-8-11(13)14-10;/h3-6,8-9,14H,1-2,7H2;1H
InChIKeyKLKMVOWFJRRRGK-UHFFFAOYSA-N
XLogP3.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.34
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine;molecular hydrogen?
The IUPAC name of 2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine;molecular hydrogen (CID 143411144) is 2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine;molecular hydrogen.
What is the SMILES notation for 2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine;molecular hydrogen?
The canonical SMILES for 2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine;molecular hydrogen is C=CC1=C(C=C)SC2=CCC=CC=C2N1.[H][H].
What is the InChIKey of 2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine;molecular hydrogen?
The InChIKey is KLKMVOWFJRRRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS.H2/c1-3-10-12(4-2)15-13-9-7-5-6-8-11(13)14-10;/h3-6,8-9,14H,1-2,7H2;1H.
What are the key properties of 2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine;molecular hydrogen?
2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine;molecular hydrogen has a molecular weight of 217.34 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine;molecular hydrogen is sourced from PubChem (CID 143411144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).