1,2-dihydrobenzo[c][1]benzothiepine

C14H12S — CID 87343681

IUPAC1,2-dihydrobenzo[c][1]benzothiepine
SMILESC1=CC2=C(C=c3ccccc3=CS2)CC1
InChIInChI=1S/C14H12S/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-2,4-5,7-10H,3,6H2
InChIKeyRDOZNLOUEATYRV-UHFFFAOYSA-N
MW212.32 g/mol
LogP2.56
Rot. Bonds

About 1,2-dihydrobenzo[c][1]benzothiepine

1,2-dihydrobenzo[c][1]benzothiepine (PubChem CID 87343681) has the molecular formula C14H12S and a molecular weight of 212.32 g/mol. Its IUPAC name is 1,2-dihydrobenzo[c][1]benzothiepine.

Molecular Properties

Compound Name1,2-dihydrobenzo[c][1]benzothiepine
PubChem CID87343681
Molecular FormulaC14H12S
Molecular Weight212.32 g/mol
Exact Mass212.07
IUPAC Name1,2-dihydrobenzo[c][1]benzothiepine
SMILESC1=CC2=C(C=c3ccccc3=CS2)CC1
InChIInChI=1S/C14H12S/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-2,4-5,7-10H,3,6H2
InChIKeyRDOZNLOUEATYRV-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydrobenzo[c][1]benzothiepine?
The IUPAC name of 1,2-dihydrobenzo[c][1]benzothiepine (CID 87343681) is 1,2-dihydrobenzo[c][1]benzothiepine.
What is the SMILES notation for 1,2-dihydrobenzo[c][1]benzothiepine?
The canonical SMILES for 1,2-dihydrobenzo[c][1]benzothiepine is C1=CC2=C(C=c3ccccc3=CS2)CC1.
What is the InChIKey of 1,2-dihydrobenzo[c][1]benzothiepine?
The InChIKey is RDOZNLOUEATYRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-2,4-5,7-10H,3,6H2.
What are the key properties of 1,2-dihydrobenzo[c][1]benzothiepine?
1,2-dihydrobenzo[c][1]benzothiepine has a molecular weight of 212.32 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrobenzo[c][1]benzothiepine is sourced from PubChem (CID 87343681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).