bromo(trithiophen-2-yl)phosphanium

C12H9BrPS3+ — CID 171527856

IUPACbromo(trithiophen-2-yl)phosphanium
SMILESBr[P+](c1cccs1)(c1cccs1)c1cccs1
InChIInChI=1S/C12H9BrPS3/c13-14(10-4-1-7-15-10,11-5-2-8-16-11)12-6-3-9-17-12/h1-9H/q+1
InChIKeyYDMMAKYIUVOAEP-UHFFFAOYSA-N
MW360.28 g/mol
LogP4.47
Rot. Bonds3

About bromo(trithiophen-2-yl)phosphanium

bromo(trithiophen-2-yl)phosphanium (PubChem CID 171527856) has the molecular formula C12H9BrPS3+ and a molecular weight of 360.28 g/mol. Its IUPAC name is bromo(trithiophen-2-yl)phosphanium.

Molecular Properties

Compound Namebromo(trithiophen-2-yl)phosphanium
PubChem CID171527856
Molecular FormulaC12H9BrPS3+
Molecular Weight360.28 g/mol
Exact Mass358.88
IUPAC Namebromo(trithiophen-2-yl)phosphanium
SMILESBr[P+](c1cccs1)(c1cccs1)c1cccs1
InChIInChI=1S/C12H9BrPS3/c13-14(10-4-1-7-15-10,11-5-2-8-16-11)12-6-3-9-17-12/h1-9H/q+1
InChIKeyYDMMAKYIUVOAEP-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.28
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

chloro(trithiophen-2-yl)phosphanium
CID 102332443
2-[(2S,3S)-3-bromobutan-2-yl]thiophene
CID 97044464
2-bromo-1-thiophen-2-ylpropan-1-ol
CID 116863277
2-propan-2-ylthiophene
CID 178128598
2-thiophen-2-yliodanuidylthiophene
CID 139891725
2-methylthiophene;toluene
CID 142082990
(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
CID 156789144
2-bromothiophene;molecular nitrogen
CID 91328293
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014
2-[bromo(thiophen-2-yl)methyl]furan
CID 61098713
[(Z)-2-hydroxy-2-phenylethenyl]-diphenyl-thiophen-2-ylphosphanium
CID 51031111
dibromo(thiophen-2-yl)phosphane
CID 14906519

Frequently Asked Questions

What is the IUPAC name of bromo(trithiophen-2-yl)phosphanium?
The IUPAC name of bromo(trithiophen-2-yl)phosphanium (CID 171527856) is bromo(trithiophen-2-yl)phosphanium.
What is the SMILES notation for bromo(trithiophen-2-yl)phosphanium?
The canonical SMILES for bromo(trithiophen-2-yl)phosphanium is Br[P+](c1cccs1)(c1cccs1)c1cccs1.
What is the InChIKey of bromo(trithiophen-2-yl)phosphanium?
The InChIKey is YDMMAKYIUVOAEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrPS3/c13-14(10-4-1-7-15-10,11-5-2-8-16-11)12-6-3-9-17-12/h1-9H/q+1.
What are the key properties of bromo(trithiophen-2-yl)phosphanium?
bromo(trithiophen-2-yl)phosphanium has a molecular weight of 360.28 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromo(trithiophen-2-yl)phosphanium is sourced from PubChem (CID 171527856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).