1-bromo-5,6,7,8-tetrahydro-4H-thieno[3,4-c]azepine

C8H10BrNS — CID 82390487

IUPAC1-bromo-5,6,7,8-tetrahydro-4H-thieno[3,4-c]azepine
SMILESBrc1scc2c1CCCNC2
InChIInChI=1S/C8H10BrNS/c9-8-7-2-1-3-10-4-6(7)5-11-8/h5,10H,1-4H2
InChIKeyQOJPOGKOFZCKAV-UHFFFAOYSA-N
MW232.15 g/mol
LogP2.55
Rot. Bonds

About 1-bromo-5,6,7,8-tetrahydro-4H-thieno[3,4-c]azepine

1-bromo-5,6,7,8-tetrahydro-4H-thieno[3,4-c]azepine (PubChem CID 82390487) has the molecular formula C8H10BrNS and a molecular weight of 232.15 g/mol. Its IUPAC name is 1-bromo-5,6,7,8-tetrahydro-4H-thieno[3,4-c]azepine.

Molecular Properties

Compound Name1-bromo-5,6,7,8-tetrahydro-4H-thieno[3,4-c]azepine
PubChem CID82390487
Molecular FormulaC8H10BrNS
Molecular Weight232.15 g/mol
Exact Mass230.97
IUPAC Name1-bromo-5,6,7,8-tetrahydro-4H-thieno[3,4-c]azepine
SMILESBrc1scc2c1CCCNC2
InChIInChI=1S/C8H10BrNS/c9-8-7-2-1-3-10-4-6(7)5-11-8/h5,10H,1-4H2
InChIKeyQOJPOGKOFZCKAV-UHFFFAOYSA-N
XLogP2.55
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.15
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-5,6,7,8-tetrahydro-4H-thieno[3,4-c]azepine?
The IUPAC name of 1-bromo-5,6,7,8-tetrahydro-4H-thieno[3,4-c]azepine (CID 82390487) is 1-bromo-5,6,7,8-tetrahydro-4H-thieno[3,4-c]azepine.
What is the SMILES notation for 1-bromo-5,6,7,8-tetrahydro-4H-thieno[3,4-c]azepine?
The canonical SMILES for 1-bromo-5,6,7,8-tetrahydro-4H-thieno[3,4-c]azepine is Brc1scc2c1CCCNC2.
What is the InChIKey of 1-bromo-5,6,7,8-tetrahydro-4H-thieno[3,4-c]azepine?
The InChIKey is QOJPOGKOFZCKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNS/c9-8-7-2-1-3-10-4-6(7)5-11-8/h5,10H,1-4H2.
What are the key properties of 1-bromo-5,6,7,8-tetrahydro-4H-thieno[3,4-c]azepine?
1-bromo-5,6,7,8-tetrahydro-4H-thieno[3,4-c]azepine has a molecular weight of 232.15 g/mol, XLogP of 2.55, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5,6,7,8-tetrahydro-4H-thieno[3,4-c]azepine is sourced from PubChem (CID 82390487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).