(4-bromophenyl)-dichloro-sulfanylidene-λ5-phosphane

C6H4BrCl2PS — CID 23413529

IUPAC(4-bromophenyl)-dichloro-sulfanylidene-λ5-phosphane
SMILESS=P(Cl)(Cl)c1ccc(Br)cc1
InChIInChI=1S/C6H4BrCl2PS/c7-5-1-3-6(4-2-5)10(8,9)11/h1-4H
InChIKeyFRMNKJXFOJDKEE-UHFFFAOYSA-N
MW289.95 g/mol
LogP3.86
Rot. Bonds1

About (4-bromophenyl)-dichloro-sulfanylidene-λ5-phosphane

(4-bromophenyl)-dichloro-sulfanylidene-λ5-phosphane (PubChem CID 23413529) has the molecular formula C6H4BrCl2PS and a molecular weight of 289.95 g/mol. Its IUPAC name is (4-bromophenyl)-dichloro-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Name(4-bromophenyl)-dichloro-sulfanylidene-λ5-phosphane
PubChem CID23413529
Molecular FormulaC6H4BrCl2PS
Molecular Weight289.95 g/mol
Exact Mass287.83
IUPAC Name(4-bromophenyl)-dichloro-sulfanylidene-λ5-phosphane
SMILESS=P(Cl)(Cl)c1ccc(Br)cc1
InChIInChI=1S/C6H4BrCl2PS/c7-5-1-3-6(4-2-5)10(8,9)11/h1-4H
InChIKeyFRMNKJXFOJDKEE-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.95
LogP ≤ 53.86
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

azane;1,4-dibromobenzene
CID 175259215
1-bromo-4-chlorobenzene
CID 7806
(4-bromophenyl)-methylphosphinic acid
CID 129135167
1-bromo-4-[4-[4-(4-bromophenyl)phenyl]phenyl]benzene
CID 59775505
1,4-dibromobenzene;oxostibane
CID 173366156
(4-bromophenyl)-butoxy-sulfanylidene-(2,2,2-trichloroethoxy)-λ5-phosphane
CID 54310290
bis(4-bromophenyl)-[[tert-butyl(dimethyl)silyl]oxymethyl]-sulfanylidene-λ5-phosphane
CID 132967695
(4-bromophenyl) hypochlorite
CID 141436103
4-bromobenzeneselenolate
CID 13099932
tetrakis(1-bromo-4-(4-bromophenyl)benzene) disulfide
CID 173034951
sodium;bromobenzene;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173452462
1-bromo-4-[dimethylphosphorylmethyl(methyl)phosphoryl]benzene
CID 59068651

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-dichloro-sulfanylidene-λ5-phosphane?
The IUPAC name of (4-bromophenyl)-dichloro-sulfanylidene-λ5-phosphane (CID 23413529) is (4-bromophenyl)-dichloro-sulfanylidene-λ5-phosphane.
What is the SMILES notation for (4-bromophenyl)-dichloro-sulfanylidene-λ5-phosphane?
The canonical SMILES for (4-bromophenyl)-dichloro-sulfanylidene-λ5-phosphane is S=P(Cl)(Cl)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-dichloro-sulfanylidene-λ5-phosphane?
The InChIKey is FRMNKJXFOJDKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrCl2PS/c7-5-1-3-6(4-2-5)10(8,9)11/h1-4H.
What are the key properties of (4-bromophenyl)-dichloro-sulfanylidene-λ5-phosphane?
(4-bromophenyl)-dichloro-sulfanylidene-λ5-phosphane has a molecular weight of 289.95 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-dichloro-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 23413529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).