3,6-dihydro-1H-thieno[3,4-d]azepine

C8H9NS — CID 67753476

IUPAC3,6-dihydro-1H-thieno[3,4-d]azepine
SMILESC1=CC2=C(C=CN1)CSC2
InChIInChI=1S/C8H9NS/c1-3-9-4-2-8-6-10-5-7(1)8/h1-4,9H,5-6H2
InChIKeyJEWMCWPGUBLPQV-UHFFFAOYSA-N
MW151.23 g/mol
LogP1.66
Rot. Bonds

About 3,6-dihydro-1H-thieno[3,4-d]azepine

3,6-dihydro-1H-thieno[3,4-d]azepine (PubChem CID 67753476) has the molecular formula C8H9NS and a molecular weight of 151.23 g/mol. Its IUPAC name is 3,6-dihydro-1H-thieno[3,4-d]azepine.

Molecular Properties

Compound Name3,6-dihydro-1H-thieno[3,4-d]azepine
PubChem CID67753476
Molecular FormulaC8H9NS
Molecular Weight151.23 g/mol
Exact Mass151.05
IUPAC Name3,6-dihydro-1H-thieno[3,4-d]azepine
SMILESC1=CC2=C(C=CN1)CSC2
InChIInChI=1S/C8H9NS/c1-3-9-4-2-8-6-10-5-7(1)8/h1-4,9H,5-6H2
InChIKeyJEWMCWPGUBLPQV-UHFFFAOYSA-N
XLogP1.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.23
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-1H-thieno[3,4-d]azepine?
The IUPAC name of 3,6-dihydro-1H-thieno[3,4-d]azepine (CID 67753476) is 3,6-dihydro-1H-thieno[3,4-d]azepine.
What is the SMILES notation for 3,6-dihydro-1H-thieno[3,4-d]azepine?
The canonical SMILES for 3,6-dihydro-1H-thieno[3,4-d]azepine is C1=CC2=C(C=CN1)CSC2.
What is the InChIKey of 3,6-dihydro-1H-thieno[3,4-d]azepine?
The InChIKey is JEWMCWPGUBLPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NS/c1-3-9-4-2-8-6-10-5-7(1)8/h1-4,9H,5-6H2.
What are the key properties of 3,6-dihydro-1H-thieno[3,4-d]azepine?
3,6-dihydro-1H-thieno[3,4-d]azepine has a molecular weight of 151.23 g/mol, XLogP of 1.66, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-1H-thieno[3,4-d]azepine is sourced from PubChem (CID 67753476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).