Thienoazocine

C9H7NS — CID 137210187

IUPAC(5Z,7Z,9E)-thieno[3,2-b]azocine
SMILESC\1=C\C=C\2/C(=N\C=C1)C=CS2
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-CYISODAQSA-N
MW161.23 g/mol
LogP2.20
Rot. Bonds

About Thienoazocine

Thienoazocine (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 NameThienoazocine
PubChem CID137210187
Molecular FormulaC9H7NS
Molecular Weight161.23 g/mol
Exact Mass161.03
IUPAC Name(5Z,7Z,9E)-thieno[3,2-b]azocine
SMILESC\1=C\C=C\2/C(=N\C=C1)C=CS2
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-CYISODAQSA-N
XLogP2.20
TPSA37.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity306

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.23
LogP ≤ 52.20
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 Thienoazocine?
The IUPAC name of Thienoazocine (CID 137210187) is (5Z,7Z,9E)-thieno[3,2-b]azocine.
What is the SMILES notation for Thienoazocine?
The canonical SMILES for Thienoazocine is C\1=C\C=C\2/C(=N\C=C1)C=CS2.
What is the InChIKey of Thienoazocine?
The InChIKey is PCLRGAHHHMYWTR-CYISODAQSA-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 Thienoazocine?
Thienoazocine has a molecular weight of 161.23 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for Thienoazocine is sourced from PubChem (CID 137210187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).