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

C12H9NS — CID 121416106

IUPAC2H-thieno[3,2-i][1]benzazepine
SMILESC1=CC=c2ccc3c(c2N=C1)SCC=3
InChIInChI=1S/C12H9NS/c1-2-7-13-11-9(3-1)4-5-10-6-8-14-12(10)11/h1-7H,8H2
InChIKeyHCYRHCAKRFPLAO-UHFFFAOYSA-N
MW199.28 g/mol
LogP1.63
Rot. Bonds

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

2H-thieno[3,2-i][1]benzazepine (PubChem CID 121416106) has the molecular formula C12H9NS and a molecular weight of 199.28 g/mol. Its IUPAC name is 2H-thieno[3,2-i][1]benzazepine.

Molecular Properties

Compound Name2H-thieno[3,2-i][1]benzazepine
PubChem CID121416106
Molecular FormulaC12H9NS
Molecular Weight199.28 g/mol
Exact Mass199.05
IUPAC Name2H-thieno[3,2-i][1]benzazepine
SMILESC1=CC=c2ccc3c(c2N=C1)SCC=3
InChIInChI=1S/C12H9NS/c1-2-7-13-11-9(3-1)4-5-10-6-8-14-12(10)11/h1-7H,8H2
InChIKeyHCYRHCAKRFPLAO-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-thieno[3,2-i][1]benzazepine?
The IUPAC name of 2H-thieno[3,2-i][1]benzazepine (CID 121416106) is 2H-thieno[3,2-i][1]benzazepine.
What is the SMILES notation for 2H-thieno[3,2-i][1]benzazepine?
The canonical SMILES for 2H-thieno[3,2-i][1]benzazepine is C1=CC=c2ccc3c(c2N=C1)SCC=3.
What is the InChIKey of 2H-thieno[3,2-i][1]benzazepine?
The InChIKey is HCYRHCAKRFPLAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NS/c1-2-7-13-11-9(3-1)4-5-10-6-8-14-12(10)11/h1-7H,8H2.
What are the key properties of 2H-thieno[3,2-i][1]benzazepine?
2H-thieno[3,2-i][1]benzazepine has a molecular weight of 199.28 g/mol, XLogP of 1.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-thieno[3,2-i][1]benzazepine is sourced from PubChem (CID 121416106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).