(3aZ,7Z,9E)-thieno[3,2-c]azocine

C9H7NS — CID 139776980

IUPAC(3aZ,7Z,9E)-thieno[3,2-c]azocine
SMILESC1=C\C=c2\scc\c2=C\N=C/1
InChIInChI=1S/C9H7NS/c1-2-5-10-7-8-4-6-11-9(8)3-1/h1-7H/b2-1-,3-1-,5-2-,8-7-,9-3+,10-5-,10-7-
InChIKeyHZXGDXKNCMYXBX-KOJYUYPSSA-N
MW161.23 g/mol
LogP0.91
Rot. Bonds

About (3aZ,7Z,9E)-thieno[3,2-c]azocine

(3aZ,7Z,9E)-thieno[3,2-c]azocine (PubChem CID 139776980) has the molecular formula C9H7NS and a molecular weight of 161.23 g/mol. Its IUPAC name is (3aZ,7Z,9E)-thieno[3,2-c]azocine.

Molecular Properties

Compound Name(3aZ,7Z,9E)-thieno[3,2-c]azocine
PubChem CID139776980
Molecular FormulaC9H7NS
Molecular Weight161.23 g/mol
Exact Mass161.03
IUPAC Name(3aZ,7Z,9E)-thieno[3,2-c]azocine
SMILESC1=C\C=c2\scc\c2=C\N=C/1
InChIInChI=1S/C9H7NS/c1-2-5-10-7-8-4-6-11-9(8)3-1/h1-7H/b2-1-,3-1-,5-2-,8-7-,9-3+,10-5-,10-7-
InChIKeyHZXGDXKNCMYXBX-KOJYUYPSSA-N
XLogP0.91
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 ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3H-thiophen-3-id-2-yl)-2H-pyridin-2-ide;yttrium
CID 58813750
2H-thieno[2,3-c]azepine
CID 66621567
2H-thieno[2,3-d]azepine
CID 67205879
3H-thieno[3,4-d]azepine
CID 67753477
2H-thieno[3,2-c]azepine
CID 70463907
5H-thieno[2,3-c]azepine
CID 90974805
2-(2-but-2-enylidenethiophen-3-ylidene)-N-methylethanimine
CID 123368043
(2Z)-N-methyl-2-(2-methylidenethiophen-3-ylidene)ethanimine
CID 139297349
2H-thieno[3,2-i][3]benzazepine
CID 140968436
3-Thia-12-azatricyclo[6.4.0.02,6]dodeca-1,5,7,9,11-pentaene
CID 140968629
Thiopyrano[2,3-c]azepine
CID 141202666
(E)-N-ethenyl-3-[(1E,3Z,5Z)-4-methylhepta-1,3,5-trienyl]sulfanylbut-2-en-1-imine
CID 141955722

Frequently Asked Questions

What is the IUPAC name of (3aZ,7Z,9E)-thieno[3,2-c]azocine?
The IUPAC name of (3aZ,7Z,9E)-thieno[3,2-c]azocine (CID 139776980) is (3aZ,7Z,9E)-thieno[3,2-c]azocine.
What is the SMILES notation for (3aZ,7Z,9E)-thieno[3,2-c]azocine?
The canonical SMILES for (3aZ,7Z,9E)-thieno[3,2-c]azocine is C1=C\C=c2\scc\c2=C\N=C/1.
What is the InChIKey of (3aZ,7Z,9E)-thieno[3,2-c]azocine?
The InChIKey is HZXGDXKNCMYXBX-KOJYUYPSSA-N. The full InChI is InChI=1S/C9H7NS/c1-2-5-10-7-8-4-6-11-9(8)3-1/h1-7H/b2-1-,3-1-,5-2-,8-7-,9-3+,10-5-,10-7-.
What are the key properties of (3aZ,7Z,9E)-thieno[3,2-c]azocine?
(3aZ,7Z,9E)-thieno[3,2-c]azocine has a molecular weight of 161.23 g/mol, XLogP of 0.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3aZ,7Z,9E)-thieno[3,2-c]azocine is sourced from PubChem (CID 139776980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).