5,7-dihydrobenzo[d][2]benzothiepine

C14H12S — CID 611373

IUPAC5,7-dihydrobenzo[d][2]benzothiepine
SMILESc1ccc2c(c1)CSCc1ccccc1-2
InChIInChI=1S/C14H12S/c1-3-7-13-11(5-1)9-15-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2
InChIKeyCKRHZOWPBLGADU-UHFFFAOYSA-N
MW212.32 g/mol
LogP4.10
Rot. Bonds

About 5,7-dihydrobenzo[d][2]benzothiepine

5,7-dihydrobenzo[d][2]benzothiepine (PubChem CID 611373) has the molecular formula C14H12S and a molecular weight of 212.32 g/mol. Its IUPAC name is 5,7-dihydrobenzo[d][2]benzothiepine.

Molecular Properties

Compound Name5,7-dihydrobenzo[d][2]benzothiepine
PubChem CID611373
Molecular FormulaC14H12S
Molecular Weight212.32 g/mol
Exact Mass212.07
IUPAC Name5,7-dihydrobenzo[d][2]benzothiepine
SMILESc1ccc2c(c1)CSCc1ccccc1-2
InChIInChI=1S/C14H12S/c1-3-7-13-11(5-1)9-15-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2
InChIKeyCKRHZOWPBLGADU-UHFFFAOYSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydrobenzo[d][2]benzothiepine?
The IUPAC name of 5,7-dihydrobenzo[d][2]benzothiepine (CID 611373) is 5,7-dihydrobenzo[d][2]benzothiepine.
What is the SMILES notation for 5,7-dihydrobenzo[d][2]benzothiepine?
The canonical SMILES for 5,7-dihydrobenzo[d][2]benzothiepine is c1ccc2c(c1)CSCc1ccccc1-2.
What is the InChIKey of 5,7-dihydrobenzo[d][2]benzothiepine?
The InChIKey is CKRHZOWPBLGADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S/c1-3-7-13-11(5-1)9-15-10-12-6-2-4-8-14(12)13/h1-8H,9-10H2.
What are the key properties of 5,7-dihydrobenzo[d][2]benzothiepine?
5,7-dihydrobenzo[d][2]benzothiepine has a molecular weight of 212.32 g/mol, XLogP of 4.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydrobenzo[d][2]benzothiepine is sourced from PubChem (CID 611373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).