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

C14H12S — CID 66666429

IUPAC1,2-dihydrobenzo[d][1]benzothiepine
SMILESC1=CC2=C(CC1)c1ccccc1C=CS2
InChIInChI=1S/C14H12S/c1-2-6-12-11(5-1)9-10-15-14-8-4-3-7-13(12)14/h1-2,4-6,8-10H,3,7H2
InChIKeyUOZUFIZMJUQQDR-UHFFFAOYSA-N
MW212.32 g/mol
LogP4.47
Rot. Bonds

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

1,2-dihydrobenzo[d][1]benzothiepine (PubChem CID 66666429) has the molecular formula C14H12S and a molecular weight of 212.32 g/mol. Its IUPAC name is 1,2-dihydrobenzo[d][1]benzothiepine.

Molecular Properties

Compound Name1,2-dihydrobenzo[d][1]benzothiepine
PubChem CID66666429
Molecular FormulaC14H12S
Molecular Weight212.32 g/mol
Exact Mass212.07
IUPAC Name1,2-dihydrobenzo[d][1]benzothiepine
SMILESC1=CC2=C(CC1)c1ccccc1C=CS2
InChIInChI=1S/C14H12S/c1-2-6-12-11(5-1)9-10-15-14-8-4-3-7-13(12)14/h1-2,4-6,8-10H,3,7H2
InChIKeyUOZUFIZMJUQQDR-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1,2-dihydrobenzo[d][1]benzothiepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydrobenzo[d][1]benzothiepine?
The IUPAC name of 1,2-dihydrobenzo[d][1]benzothiepine (CID 66666429) is 1,2-dihydrobenzo[d][1]benzothiepine.
What is the SMILES notation for 1,2-dihydrobenzo[d][1]benzothiepine?
The canonical SMILES for 1,2-dihydrobenzo[d][1]benzothiepine is C1=CC2=C(CC1)c1ccccc1C=CS2.
What is the InChIKey of 1,2-dihydrobenzo[d][1]benzothiepine?
The InChIKey is UOZUFIZMJUQQDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12S/c1-2-6-12-11(5-1)9-10-15-14-8-4-3-7-13(12)14/h1-2,4-6,8-10H,3,7H2.
What are the key properties of 1,2-dihydrobenzo[d][1]benzothiepine?
1,2-dihydrobenzo[d][1]benzothiepine has a molecular weight of 212.32 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrobenzo[d][1]benzothiepine is sourced from PubChem (CID 66666429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).