6-bromospiro[1H-indene-3,3'-thietane]-2-one

C11H9BrOS — CID 58221476

IUPAC6-bromospiro[1H-indene-3,3'-thietane]-2-one
SMILESO=C1Cc2cc(Br)ccc2C12CSC2
InChIInChI=1S/C11H9BrOS/c12-8-1-2-9-7(3-8)4-10(13)11(9)5-14-6-11/h1-3H,4-6H2
InChIKeyNNWWQLGNHKHKOV-UHFFFAOYSA-N
MW269.16 g/mol
LogP2.56
Rot. Bonds

About 6-bromospiro[1H-indene-3,3'-thietane]-2-one

6-bromospiro[1H-indene-3,3'-thietane]-2-one (PubChem CID 58221476) has the molecular formula C11H9BrOS and a molecular weight of 269.16 g/mol. Its IUPAC name is 6-bromospiro[1H-indene-3,3'-thietane]-2-one.

Molecular Properties

Compound Name6-bromospiro[1H-indene-3,3'-thietane]-2-one
PubChem CID58221476
Molecular FormulaC11H9BrOS
Molecular Weight269.16 g/mol
Exact Mass267.96
IUPAC Name6-bromospiro[1H-indene-3,3'-thietane]-2-one
SMILESO=C1Cc2cc(Br)ccc2C12CSC2
InChIInChI=1S/C11H9BrOS/c12-8-1-2-9-7(3-8)4-10(13)11(9)5-14-6-11/h1-3H,4-6H2
InChIKeyNNWWQLGNHKHKOV-UHFFFAOYSA-N
XLogP2.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.16
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromospiro[1H-indene-3,4'-oxane]-2-one
CID 58154272
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2,7-dibromo-10,10-dimethyl-9H-anthracene
CID 141458589
6-bromo-4'-(2-morpholin-4-ylethoxy)spiro[1H-indene-3,1'-cyclohexane]-2-one
CID 58154278
(3R)-6-bromospiro[1,2-dihydroindene-3,3'-pyrrolidine]-2',5'-dione
CID 124572209
6-bromospiro[1,2-dihydroindole-3,3'-thietane];6-bromospiro[1H-indole-3,3'-thietane]-2-one
CID 161103439
6-bromo-3H-1-benzothiophen-2-one
CID 58074036
3-bromobicyclo[4.2.0]octa-1(6),2,4-triene
CID 10866980
(2Z)-6-bromo-2-(6-bromo-3-oxo-1H-inden-2-ylidene)-1H-indol-3-one
CID 148619088
6-bromo-1,4-dihydroquinoline-2,3-dione
CID 58064696
7-bromo-1,1-dimethyl-3,4-dihydronaphthalen-2-one
CID 115010938
5-bromo-6-ethylspiro[1H-indene-3,1'-cyclopropane]-2-one
CID 177355037

Frequently Asked Questions

What is the IUPAC name of 6-bromospiro[1H-indene-3,3'-thietane]-2-one?
The IUPAC name of 6-bromospiro[1H-indene-3,3'-thietane]-2-one (CID 58221476) is 6-bromospiro[1H-indene-3,3'-thietane]-2-one.
What is the SMILES notation for 6-bromospiro[1H-indene-3,3'-thietane]-2-one?
The canonical SMILES for 6-bromospiro[1H-indene-3,3'-thietane]-2-one is O=C1Cc2cc(Br)ccc2C12CSC2.
What is the InChIKey of 6-bromospiro[1H-indene-3,3'-thietane]-2-one?
The InChIKey is NNWWQLGNHKHKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrOS/c12-8-1-2-9-7(3-8)4-10(13)11(9)5-14-6-11/h1-3H,4-6H2.
What are the key properties of 6-bromospiro[1H-indene-3,3'-thietane]-2-one?
6-bromospiro[1H-indene-3,3'-thietane]-2-one has a molecular weight of 269.16 g/mol, XLogP of 2.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromospiro[1H-indene-3,3'-thietane]-2-one is sourced from PubChem (CID 58221476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).