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

C8H9Cl2NS — CID 70463961

IUPAC7H-thieno[2,3-c]azepine;dihydrochloride
SMILESC1=CNC=c2sccc2=C1.Cl.Cl
InChIInChI=1S/C8H7NS.2ClH/c1-2-7-3-5-10-8(7)6-9-4-1;;/h1-6,9H;2*1H
InChIKeySVZPCRBHLXFUFZ-UHFFFAOYSA-N
MW222.14 g/mol
LogP1.23
Rot. Bonds

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

7H-thieno[2,3-c]azepine;dihydrochloride (PubChem CID 70463961) has the molecular formula C8H9Cl2NS and a molecular weight of 222.14 g/mol. Its IUPAC name is 7H-thieno[2,3-c]azepine;dihydrochloride.

Molecular Properties

Compound Name7H-thieno[2,3-c]azepine;dihydrochloride
PubChem CID70463961
Molecular FormulaC8H9Cl2NS
Molecular Weight222.14 g/mol
Exact Mass220.98
IUPAC Name7H-thieno[2,3-c]azepine;dihydrochloride
SMILESC1=CNC=c2sccc2=C1.Cl.Cl
InChIInChI=1S/C8H7NS.2ClH/c1-2-7-3-5-10-8(7)6-9-4-1;;/h1-6,9H;2*1H
InChIKeySVZPCRBHLXFUFZ-UHFFFAOYSA-N
XLogP1.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.14
LogP ≤ 51.23
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;dihydrochloride?
The IUPAC name of 7H-thieno[2,3-c]azepine;dihydrochloride (CID 70463961) is 7H-thieno[2,3-c]azepine;dihydrochloride.
What is the SMILES notation for 7H-thieno[2,3-c]azepine;dihydrochloride?
The canonical SMILES for 7H-thieno[2,3-c]azepine;dihydrochloride is C1=CNC=c2sccc2=C1.Cl.Cl.
What is the InChIKey of 7H-thieno[2,3-c]azepine;dihydrochloride?
The InChIKey is SVZPCRBHLXFUFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NS.2ClH/c1-2-7-3-5-10-8(7)6-9-4-1;;/h1-6,9H;2*1H.
What are the key properties of 7H-thieno[2,3-c]azepine;dihydrochloride?
7H-thieno[2,3-c]azepine;dihydrochloride has a molecular weight of 222.14 g/mol, XLogP of 1.23, 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;dihydrochloride is sourced from PubChem (CID 70463961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).