benzo[b]thianthrene

C16H10S2 — CID 19906774

IUPACbenzo[b]thianthrene
SMILESc1ccc2c(c1)Sc1cc3ccccc3cc1S2
InChIInChI=1S/C16H10S2/c1-2-6-12-10-16-15(9-11(12)5-1)17-13-7-3-4-8-14(13)18-16/h1-10H
InChIKeyTZCHHMRINAZUPZ-UHFFFAOYSA-N
MW266.39 g/mol
LogP5.46
Rot. Bonds

About benzo[b]thianthrene

benzo[b]thianthrene (PubChem CID 19906774) has the molecular formula C16H10S2 and a molecular weight of 266.39 g/mol. Its IUPAC name is benzo[b]thianthrene.

Molecular Properties

Compound Namebenzo[b]thianthrene
PubChem CID19906774
Molecular FormulaC16H10S2
Molecular Weight266.39 g/mol
Exact Mass266.02
IUPAC Namebenzo[b]thianthrene
SMILESc1ccc2c(c1)Sc1cc3ccccc3cc1S2
InChIInChI=1S/C16H10S2/c1-2-6-12-10-16-15(9-11(12)5-1)17-13-7-3-4-8-14(13)18-16/h1-10H
InChIKeyTZCHHMRINAZUPZ-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.39
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzo[b]thianthrene?
The IUPAC name of benzo[b]thianthrene (CID 19906774) is benzo[b]thianthrene.
What is the SMILES notation for benzo[b]thianthrene?
The canonical SMILES for benzo[b]thianthrene is c1ccc2c(c1)Sc1cc3ccccc3cc1S2.
What is the InChIKey of benzo[b]thianthrene?
The InChIKey is TZCHHMRINAZUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10S2/c1-2-6-12-10-16-15(9-11(12)5-1)17-13-7-3-4-8-14(13)18-16/h1-10H.
What are the key properties of benzo[b]thianthrene?
benzo[b]thianthrene has a molecular weight of 266.39 g/mol, XLogP of 5.46, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[b]thianthrene is sourced from PubChem (CID 19906774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).