(3-bromophenyl)-dimethyl-sulfanylidene-λ5-phosphane

C8H10BrPS — CID 154728396

IUPAC(3-bromophenyl)-dimethyl-sulfanylidene-λ5-phosphane
SMILESCP(C)(=S)c1cccc(Br)c1
InChIInChI=1S/C8H10BrPS/c1-10(2,11)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKeyNYNWDCIFESLJFJ-UHFFFAOYSA-N
MW249.11 g/mol
LogP2.81
Rot. Bonds1

About (3-bromophenyl)-dimethyl-sulfanylidene-λ5-phosphane

(3-bromophenyl)-dimethyl-sulfanylidene-λ5-phosphane (PubChem CID 154728396) has the molecular formula C8H10BrPS and a molecular weight of 249.11 g/mol. Its IUPAC name is (3-bromophenyl)-dimethyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(3-bromophenyl)-dimethyl-sulfanylidene-λ5-phosphane
PubChem CID154728396
Molecular FormulaC8H10BrPS
Molecular Weight249.11 g/mol
Exact Mass247.94
IUPAC Name(3-bromophenyl)-dimethyl-sulfanylidene-λ5-phosphane
SMILESCP(C)(=S)c1cccc(Br)c1
InChIInChI=1S/C8H10BrPS/c1-10(2,11)8-5-3-4-7(9)6-8/h3-6H,1-2H3
InChIKeyNYNWDCIFESLJFJ-UHFFFAOYSA-N
XLogP2.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.11
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1,3-dibromo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 54590075
1,3-dibromobenzene;1,4-dibromobenzene
CID 70555684
CID 154319240
CID 154319240
1-bromo-2-[(3-bromophenyl)-phenylphosphoryl]benzene
CID 135193040
1,3-dibromocyclodeca-1,3,5,7,9-pentaene
CID 144708258
bromo-diphenyl-sulfanylidene-λ5-phosphane
CID 23415811
1-bromo-3-(propylsulfanylmethyl)benzene
CID 60645412
(3-bromophenoxy)-methylphosphinic acid
CID 174796798
1-bromo-3-phenylbenzene;ethane
CID 163977967
bis(3-bromophenyl)-dimethylsilane
CID 86171325
1-bromo-3-methylsulfanylbenzene
CID 2735627
1-bromo-3-(diphenylphosphorylmethyl)benzene
CID 172848194

Frequently Asked Questions

What is the IUPAC name of (3-bromophenyl)-dimethyl-sulfanylidene-λ5-phosphane?
The IUPAC name of (3-bromophenyl)-dimethyl-sulfanylidene-λ5-phosphane (CID 154728396) is (3-bromophenyl)-dimethyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (3-bromophenyl)-dimethyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for (3-bromophenyl)-dimethyl-sulfanylidene-λ5-phosphane is CP(C)(=S)c1cccc(Br)c1.
What is the InChIKey of (3-bromophenyl)-dimethyl-sulfanylidene-λ5-phosphane?
The InChIKey is NYNWDCIFESLJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrPS/c1-10(2,11)8-5-3-4-7(9)6-8/h3-6H,1-2H3.
What are the key properties of (3-bromophenyl)-dimethyl-sulfanylidene-λ5-phosphane?
(3-bromophenyl)-dimethyl-sulfanylidene-λ5-phosphane has a molecular weight of 249.11 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromophenyl)-dimethyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 154728396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).