6,11-dihydrobenzo[c][1,5]benzothiazepine

C13H11NS — CID 826971

IUPAC6,11-dihydrobenzo[c][1,5]benzothiazepine
SMILESc1ccc2c(c1)CSc1ccccc1N2
InChIInChI=1S/C13H11NS/c1-2-6-11-10(5-1)9-15-13-8-4-3-7-12(13)14-11/h1-8,14H,9H2
InChIKeyJVWKQCOSIPNOKD-UHFFFAOYSA-N
MW213.31 g/mol
LogP4.04
Rot. Bonds

About 6,11-dihydrobenzo[c][1,5]benzothiazepine

6,11-dihydrobenzo[c][1,5]benzothiazepine (PubChem CID 826971) has the molecular formula C13H11NS and a molecular weight of 213.31 g/mol. Its IUPAC name is 6,11-dihydrobenzo[c][1,5]benzothiazepine.

Molecular Properties

Compound Name6,11-dihydrobenzo[c][1,5]benzothiazepine
PubChem CID826971
Molecular FormulaC13H11NS
Molecular Weight213.31 g/mol
Exact Mass213.06
IUPAC Name6,11-dihydrobenzo[c][1,5]benzothiazepine
SMILESc1ccc2c(c1)CSc1ccccc1N2
InChIInChI=1S/C13H11NS/c1-2-6-11-10(5-1)9-15-13-8-4-3-7-12(13)14-11/h1-8,14H,9H2
InChIKeyJVWKQCOSIPNOKD-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.31
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,11-dihydrobenzo[c][1,5]benzothiazepine?
The IUPAC name of 6,11-dihydrobenzo[c][1,5]benzothiazepine (CID 826971) is 6,11-dihydrobenzo[c][1,5]benzothiazepine.
What is the SMILES notation for 6,11-dihydrobenzo[c][1,5]benzothiazepine?
The canonical SMILES for 6,11-dihydrobenzo[c][1,5]benzothiazepine is c1ccc2c(c1)CSc1ccccc1N2.
What is the InChIKey of 6,11-dihydrobenzo[c][1,5]benzothiazepine?
The InChIKey is JVWKQCOSIPNOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NS/c1-2-6-11-10(5-1)9-15-13-8-4-3-7-12(13)14-11/h1-8,14H,9H2.
What are the key properties of 6,11-dihydrobenzo[c][1,5]benzothiazepine?
6,11-dihydrobenzo[c][1,5]benzothiazepine has a molecular weight of 213.31 g/mol, XLogP of 4.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,11-dihydrobenzo[c][1,5]benzothiazepine is sourced from PubChem (CID 826971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).