benzo[d][2]benzothiepine

C14H10S — CID 610904

IUPACbenzo[d][2]benzothiepine
SMILESC1=c2ccccc2=c2ccccc2=CS1
InChIInChI=1S/C14H10S/c1-3-7-13-11(5-1)9-15-10-12-6-2-4-8-14(12)13/h1-10H
InChIKeyNOMVDYFTPLNZSU-UHFFFAOYSA-N
MW210.30 g/mol
LogP2.20
Rot. Bonds

About benzo[d][2]benzothiepine

benzo[d][2]benzothiepine (PubChem CID 610904) has the molecular formula C14H10S and a molecular weight of 210.30 g/mol. Its IUPAC name is benzo[d][2]benzothiepine.

Molecular Properties

Compound Namebenzo[d][2]benzothiepine
PubChem CID610904
Molecular FormulaC14H10S
Molecular Weight210.30 g/mol
Exact Mass210.05
IUPAC Namebenzo[d][2]benzothiepine
SMILESC1=c2ccccc2=c2ccccc2=CS1
InChIInChI=1S/C14H10S/c1-3-7-13-11(5-1)9-15-10-12-6-2-4-8-14(12)13/h1-10H
InChIKeyNOMVDYFTPLNZSU-UHFFFAOYSA-N
XLogP2.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzo[d][2]benzothiepine?
The IUPAC name of benzo[d][2]benzothiepine (CID 610904) is benzo[d][2]benzothiepine.
What is the SMILES notation for benzo[d][2]benzothiepine?
The canonical SMILES for benzo[d][2]benzothiepine is C1=c2ccccc2=c2ccccc2=CS1.
What is the InChIKey of benzo[d][2]benzothiepine?
The InChIKey is NOMVDYFTPLNZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10S/c1-3-7-13-11(5-1)9-15-10-12-6-2-4-8-14(12)13/h1-10H.
What are the key properties of benzo[d][2]benzothiepine?
benzo[d][2]benzothiepine has a molecular weight of 210.30 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[d][2]benzothiepine is sourced from PubChem (CID 610904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).