(5Z,7Z,9E)-thieno[3,2-b]azocine

C9H7NS — CID 137210187

IUPAC(5Z,7Z,9E)-thieno[3,2-b]azocine
SMILESC1=C\C=c2\scc\c2=N\C=C/1
InChIInChI=1S/C9H7NS/c1-2-4-9-8(5-7-11-9)10-6-3-1/h1-7H/b2-1-,3-1-,4-2-,6-3-,9-4+,10-6-,10-8-
InChIKeyPCLRGAHHHMYWTR-VISKWSNYSA-N
MW161.23 g/mol
LogP1.23
Rot. Bonds

About (5Z,7Z,9E)-thieno[3,2-b]azocine

(5Z,7Z,9E)-thieno[3,2-b]azocine (PubChem CID 137210187) has the molecular formula C9H7NS and a molecular weight of 161.23 g/mol. Its IUPAC name is (5Z,7Z,9E)-thieno[3,2-b]azocine.

Molecular Properties

Compound Name(5Z,7Z,9E)-thieno[3,2-b]azocine
PubChem CID137210187
Molecular FormulaC9H7NS
Molecular Weight161.23 g/mol
Exact Mass161.03
IUPAC Name(5Z,7Z,9E)-thieno[3,2-b]azocine
SMILESC1=C\C=c2\scc\c2=N\C=C/1
InChIInChI=1S/C9H7NS/c1-2-4-9-8(5-7-11-9)10-6-3-1/h1-7H/b2-1-,3-1-,4-2-,6-3-,9-4+,10-6-,10-8-
InChIKeyPCLRGAHHHMYWTR-VISKWSNYSA-N
XLogP1.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

lithium 7H-thieno[3,2-b]pyridin-7-ide
CID 88663699
(3aZ,7Z,9E)-thieno[3,2-c]azocine
CID 139776980
Cyclopenta[g][1,4]benzothiazine
CID 158777512
7H-thieno[3,2-b]pyridin-7-ide;uranium
CID 163525472
ethane;(2E)-N-ethenyl-2-ethylidenethiophen-3-imine
CID 178004056
(2E)-N-ethenyl-2-ethylidenethiophen-3-imine
CID 178004057

Frequently Asked Questions

What is the IUPAC name of (5Z,7Z,9E)-thieno[3,2-b]azocine?
The IUPAC name of (5Z,7Z,9E)-thieno[3,2-b]azocine (CID 137210187) is (5Z,7Z,9E)-thieno[3,2-b]azocine.
What is the SMILES notation for (5Z,7Z,9E)-thieno[3,2-b]azocine?
The canonical SMILES for (5Z,7Z,9E)-thieno[3,2-b]azocine is C1=C\C=c2\scc\c2=N\C=C/1.
What is the InChIKey of (5Z,7Z,9E)-thieno[3,2-b]azocine?
The InChIKey is PCLRGAHHHMYWTR-VISKWSNYSA-N. The full InChI is InChI=1S/C9H7NS/c1-2-4-9-8(5-7-11-9)10-6-3-1/h1-7H/b2-1-,3-1-,4-2-,6-3-,9-4+,10-6-,10-8-.
What are the key properties of (5Z,7Z,9E)-thieno[3,2-b]azocine?
(5Z,7Z,9E)-thieno[3,2-b]azocine has a molecular weight of 161.23 g/mol, XLogP of 1.23, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,7Z,9E)-thieno[3,2-b]azocine is sourced from PubChem (CID 137210187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).