7H-thieno[2,3-c]azepine

C8H7NS — CID 57461865

IUPAC7H-thieno[2,3-c]azepine
SMILESC1=CNC=c2sccc2=C1
InChIInChI=1S/C8H7NS/c1-2-7-3-5-10-8(7)6-9-4-1/h1-6,9H
InChIKeyBLEFLXUUMFDYSV-UHFFFAOYSA-N
MW149.22 g/mol
LogP0.38
Rot. Bonds

About 7H-thieno[2,3-c]azepine

7H-thieno[2,3-c]azepine (PubChem CID 57461865) has the molecular formula C8H7NS and a molecular weight of 149.22 g/mol. Its IUPAC name is 7H-thieno[2,3-c]azepine.

Molecular Properties

Compound Name7H-thieno[2,3-c]azepine
PubChem CID57461865
Molecular FormulaC8H7NS
Molecular Weight149.22 g/mol
Exact Mass149.03
IUPAC Name7H-thieno[2,3-c]azepine
SMILESC1=CNC=c2sccc2=C1
InChIInChI=1S/C8H7NS/c1-2-7-3-5-10-8(7)6-9-4-1/h1-6,9H
InChIKeyBLEFLXUUMFDYSV-UHFFFAOYSA-N
XLogP0.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.22
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7H-thieno[2,3-c]azepine?
The IUPAC name of 7H-thieno[2,3-c]azepine (CID 57461865) is 7H-thieno[2,3-c]azepine.
What is the SMILES notation for 7H-thieno[2,3-c]azepine?
The canonical SMILES for 7H-thieno[2,3-c]azepine is C1=CNC=c2sccc2=C1.
What is the InChIKey of 7H-thieno[2,3-c]azepine?
The InChIKey is BLEFLXUUMFDYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS/c1-2-7-3-5-10-8(7)6-9-4-1/h1-6,9H.
What are the key properties of 7H-thieno[2,3-c]azepine?
7H-thieno[2,3-c]azepine has a molecular weight of 149.22 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-thieno[2,3-c]azepine is sourced from PubChem (CID 57461865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).