9H-thieno[2,3-i][1]benzazepine

C12H9NS — CID 88798857

IUPAC9H-thieno[2,3-i][1]benzazepine
SMILESC1=CN=c2c(ccc3c2=CCS3)C=C1
InChIInChI=1S/C12H9NS/c1-2-7-13-12-9(3-1)4-5-11-10(12)6-8-14-11/h1-7H,8H2
InChIKeyUORQOUXDTZZJLA-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.73
Rot. Bonds

About 9H-thieno[2,3-i][1]benzazepine

9H-thieno[2,3-i][1]benzazepine (PubChem CID 88798857) has the molecular formula C12H9NS and a molecular weight of 199.28 g/mol. Its IUPAC name is 9H-thieno[2,3-i][1]benzazepine.

Molecular Properties

Compound Name9H-thieno[2,3-i][1]benzazepine
PubChem CID88798857
Molecular FormulaC12H9NS
Molecular Weight199.28 g/mol
Exact Mass199.05
IUPAC Name9H-thieno[2,3-i][1]benzazepine
SMILESC1=CN=c2c(ccc3c2=CCS3)C=C1
InChIInChI=1S/C12H9NS/c1-2-7-13-12-9(3-1)4-5-11-10(12)6-8-14-11/h1-7H,8H2
InChIKeyUORQOUXDTZZJLA-UHFFFAOYSA-N
XLogP1.73
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.28
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9H-thieno[2,3-i][1]benzazepine?
The IUPAC name of 9H-thieno[2,3-i][1]benzazepine (CID 88798857) is 9H-thieno[2,3-i][1]benzazepine.
What is the SMILES notation for 9H-thieno[2,3-i][1]benzazepine?
The canonical SMILES for 9H-thieno[2,3-i][1]benzazepine is C1=CN=c2c(ccc3c2=CCS3)C=C1.
What is the InChIKey of 9H-thieno[2,3-i][1]benzazepine?
The InChIKey is UORQOUXDTZZJLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS/c1-2-7-13-12-9(3-1)4-5-11-10(12)6-8-14-11/h1-7H,8H2.
What are the key properties of 9H-thieno[2,3-i][1]benzazepine?
9H-thieno[2,3-i][1]benzazepine has a molecular weight of 199.28 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-thieno[2,3-i][1]benzazepine is sourced from PubChem (CID 88798857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).