7-bromo-4-chloro-2,3-dihydrodibenzothiophene

C12H8BrClS — CID 170204754

IUPAC7-bromo-4-chloro-2,3-dihydrodibenzothiophene
SMILESClC1=c2sc3cc(Br)ccc3c2=CCC1
InChIInChI=1S/C12H8BrClS/c13-7-4-5-8-9-2-1-3-10(14)12(9)15-11(8)6-7/h2,4-6H,1,3H2
InChIKeyKPWHFCPDHFFJGU-UHFFFAOYSA-N
MW299.62 g/mol
LogP3.59
Rot. Bonds

About 7-bromo-4-chloro-2,3-dihydrodibenzothiophene

7-bromo-4-chloro-2,3-dihydrodibenzothiophene (PubChem CID 170204754) has the molecular formula C12H8BrClS and a molecular weight of 299.62 g/mol. Its IUPAC name is 7-bromo-4-chloro-2,3-dihydrodibenzothiophene.

Molecular Properties

Compound Name7-bromo-4-chloro-2,3-dihydrodibenzothiophene
PubChem CID170204754
Molecular FormulaC12H8BrClS
Molecular Weight299.62 g/mol
Exact Mass297.92
IUPAC Name7-bromo-4-chloro-2,3-dihydrodibenzothiophene
SMILESClC1=c2sc3cc(Br)ccc3c2=CCC1
InChIInChI=1S/C12H8BrClS/c13-7-4-5-8-9-2-1-3-10(14)12(9)15-11(8)6-7/h2,4-6H,1,3H2
InChIKeyKPWHFCPDHFFJGU-UHFFFAOYSA-N
XLogP3.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.62
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-chloro-2,3-dihydrodibenzothiophene?
The IUPAC name of 7-bromo-4-chloro-2,3-dihydrodibenzothiophene (CID 170204754) is 7-bromo-4-chloro-2,3-dihydrodibenzothiophene.
What is the SMILES notation for 7-bromo-4-chloro-2,3-dihydrodibenzothiophene?
The canonical SMILES for 7-bromo-4-chloro-2,3-dihydrodibenzothiophene is ClC1=c2sc3cc(Br)ccc3c2=CCC1.
What is the InChIKey of 7-bromo-4-chloro-2,3-dihydrodibenzothiophene?
The InChIKey is KPWHFCPDHFFJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClS/c13-7-4-5-8-9-2-1-3-10(14)12(9)15-11(8)6-7/h2,4-6H,1,3H2.
What are the key properties of 7-bromo-4-chloro-2,3-dihydrodibenzothiophene?
7-bromo-4-chloro-2,3-dihydrodibenzothiophene has a molecular weight of 299.62 g/mol, XLogP of 3.59, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-chloro-2,3-dihydrodibenzothiophene is sourced from PubChem (CID 170204754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).