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

C13H13NS — CID 143411145

IUPAC2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine
SMILESC=CC1=C(C=C)SC2=CCC=CC=C2N1
InChIInChI=1S/C13H13NS/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
InChIKeyDPKVGDNFNYURRA-UHFFFAOYSA-N
MW215.32 g/mol
LogP3.63
Rot. Bonds2

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

2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine (PubChem CID 143411145) has the molecular formula C13H13NS and a molecular weight of 215.32 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine.

Molecular Properties

Compound Name2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine
PubChem CID143411145
Molecular FormulaC13H13NS
Molecular Weight215.32 g/mol
Exact Mass215.08
IUPAC Name2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine
SMILESC=CC1=C(C=C)SC2=CCC=CC=C2N1
InChIInChI=1S/C13H13NS/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
InChIKeyDPKVGDNFNYURRA-UHFFFAOYSA-N
XLogP3.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.32
LogP ≤ 53.63
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?
The IUPAC name of 2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine (CID 143411145) is 2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine.
What is the SMILES notation for 2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine?
The canonical SMILES for 2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine is C=CC1=C(C=C)SC2=CCC=CC=C2N1.
What is the InChIKey of 2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine?
The InChIKey is DPKVGDNFNYURRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NS/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.
What are the key properties of 2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine?
2,3-bis(ethenyl)-4,8-dihydrocyclohepta[b][1,4]thiazine has a molecular weight of 215.32 g/mol, XLogP of 3.63, 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 is sourced from PubChem (CID 143411145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).