2,7-dibromo-9-sulfinylfluorene

C13H6Br2OS — CID 134924114

IUPAC2,7-dibromo-9-sulfinylfluorene
SMILESO=S=C1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C13H6Br2OS/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(17-16)11(9)5-7/h1-6H
InChIKeyHOTVNOGNUNODLB-UHFFFAOYSA-N
MW370.07 g/mol
LogP3.97
Rot. Bonds

About 2,7-dibromo-9-sulfinylfluorene

2,7-dibromo-9-sulfinylfluorene (PubChem CID 134924114) has the molecular formula C13H6Br2OS and a molecular weight of 370.07 g/mol. Its IUPAC name is 2,7-dibromo-9-sulfinylfluorene.

Molecular Properties

Compound Name2,7-dibromo-9-sulfinylfluorene
PubChem CID134924114
Molecular FormulaC13H6Br2OS
Molecular Weight370.07 g/mol
Exact Mass367.85
IUPAC Name2,7-dibromo-9-sulfinylfluorene
SMILESO=S=C1c2cc(Br)ccc2-c2ccc(Br)cc21
InChIInChI=1S/C13H6Br2OS/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(17-16)11(9)5-7/h1-6H
InChIKeyHOTVNOGNUNODLB-UHFFFAOYSA-N
XLogP3.97
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.07
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

2,7-dibromophenanthrene-9,10-dione
CID 159425513
4-bromo-1,2-bis(4-bromophenyl)benzene
CID 54378809
2-bromo-9-methylidenefluorene
CID 89181639
3-bromo-6-hydroxyphenanthrene-9,10-dione
CID 67151152
5-bromo-2-(4-bromo-2-formylphenyl)benzaldehyde
CID 11326094
2-(2-amino-4-bromophenyl)-5-bromoaniline
CID 11221538
2-bromo-7-methyl-9-methylidenefluorene
CID 143934053
2-bromotetracene-5,12-dione
CID 15745128
6-bromo-9-oxofluorene-2-carbaldehyde
CID 15661410
7-bromoindeno[1,2-c]pyridin-5-one
CID 19093448
9-bromobenzo[a]phenalen-7-one
CID 118565290
4-[4-bromo-2-(4-hydroxyphenyl)phenyl]phenol
CID 159686938

Frequently Asked Questions

What is the IUPAC name of 2,7-dibromo-9-sulfinylfluorene?
The IUPAC name of 2,7-dibromo-9-sulfinylfluorene (CID 134924114) is 2,7-dibromo-9-sulfinylfluorene.
What is the SMILES notation for 2,7-dibromo-9-sulfinylfluorene?
The canonical SMILES for 2,7-dibromo-9-sulfinylfluorene is O=S=C1c2cc(Br)ccc2-c2ccc(Br)cc21.
What is the InChIKey of 2,7-dibromo-9-sulfinylfluorene?
The InChIKey is HOTVNOGNUNODLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Br2OS/c14-7-1-3-9-10-4-2-8(15)6-12(10)13(17-16)11(9)5-7/h1-6H.
What are the key properties of 2,7-dibromo-9-sulfinylfluorene?
2,7-dibromo-9-sulfinylfluorene has a molecular weight of 370.07 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dibromo-9-sulfinylfluorene is sourced from PubChem (CID 134924114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).