2-chlorodibenzothiophene 5-oxide

C12H7ClOS — CID 155771931

IUPAC2-chlorodibenzothiophene 5-oxide
SMILESO=S1c2ccccc2-c2cc(Cl)ccc21
InChIInChI=1S/C12H7ClOS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)15(12)14/h1-7H
InChIKeyXAAIIKMSWBSNQE-UHFFFAOYSA-N
MW234.71 g/mol
LogP3.49
Rot. Bonds

About 2-chlorodibenzothiophene 5-oxide

2-chlorodibenzothiophene 5-oxide (PubChem CID 155771931) has the molecular formula C12H7ClOS and a molecular weight of 234.71 g/mol. Its IUPAC name is 2-chlorodibenzothiophene 5-oxide.

Molecular Properties

Compound Name2-chlorodibenzothiophene 5-oxide
PubChem CID155771931
Molecular FormulaC12H7ClOS
Molecular Weight234.71 g/mol
Exact Mass233.99
IUPAC Name2-chlorodibenzothiophene 5-oxide
SMILESO=S1c2ccccc2-c2cc(Cl)ccc21
InChIInChI=1S/C12H7ClOS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)15(12)14/h1-7H
InChIKeyXAAIIKMSWBSNQE-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.71
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

dibenzothiophene 5-oxide
CID 13898
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CID 6441320
cobalt;10-oxothioxanthen-9-one
CID 158047817
3-chlorophenanthrene-9,10-dione
CID 67151037
5-oxodibenzothiophen-3-amine
CID 24973375
N-acetyl-N-[3-(diacetylamino)-5-oxodibenzothiophen-2-yl]acetamide
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3-chloro-11-oxo-6H-benzo[b][1,4]benzothiazepine-5-carbonyl chloride
CID 15341021
3,6-dichlorophenanthrene-9,10-dione
CID 15371518
3,6-dichlorospiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8,10,12,15,17-nonaene]
CID 130265363
5-chloro-2-(2-fluorobenzenecarboximidoyl)-1-oxo-1-benzothiophen-3-ol
CID 135815561
4-chloro-8-iodoniatricyclo[7.4.0.02,7]trideca-1(13),2(7),3,5,9,11-hexaene
CID 86210026
methyl (11S)-5-[(4-chlorophenyl)methyl]-6,11-dioxobenzo[b][1,4]benzothiazepine-3-carboxylate
CID 92695017

Frequently Asked Questions

What is the IUPAC name of 2-chlorodibenzothiophene 5-oxide?
The IUPAC name of 2-chlorodibenzothiophene 5-oxide (CID 155771931) is 2-chlorodibenzothiophene 5-oxide.
What is the SMILES notation for 2-chlorodibenzothiophene 5-oxide?
The canonical SMILES for 2-chlorodibenzothiophene 5-oxide is O=S1c2ccccc2-c2cc(Cl)ccc21.
What is the InChIKey of 2-chlorodibenzothiophene 5-oxide?
The InChIKey is XAAIIKMSWBSNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClOS/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)15(12)14/h1-7H.
What are the key properties of 2-chlorodibenzothiophene 5-oxide?
2-chlorodibenzothiophene 5-oxide has a molecular weight of 234.71 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chlorodibenzothiophene 5-oxide is sourced from PubChem (CID 155771931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).