chloro(trithiophen-2-yl)phosphanium

C12H9ClPS3+ — CID 102332443

IUPACchloro(trithiophen-2-yl)phosphanium
SMILESCl[P+](c1cccs1)(c1cccs1)c1cccs1
InChIInChI=1S/C12H9ClPS3/c13-14(10-4-1-7-15-10,11-5-2-8-16-11)12-6-3-9-17-12/h1-9H/q+1
InChIKeyWGRFRYJUHRDRHU-UHFFFAOYSA-N
MW315.83 g/mol
LogP4.32
Rot. Bonds3

About chloro(trithiophen-2-yl)phosphanium

chloro(trithiophen-2-yl)phosphanium (PubChem CID 102332443) has the molecular formula C12H9ClPS3+ and a molecular weight of 315.83 g/mol. Its IUPAC name is chloro(trithiophen-2-yl)phosphanium.

Molecular Properties

Compound Namechloro(trithiophen-2-yl)phosphanium
PubChem CID102332443
Molecular FormulaC12H9ClPS3+
Molecular Weight315.83 g/mol
Exact Mass314.93
IUPAC Namechloro(trithiophen-2-yl)phosphanium
SMILESCl[P+](c1cccs1)(c1cccs1)c1cccs1
InChIInChI=1S/C12H9ClPS3/c13-14(10-4-1-7-15-10,11-5-2-8-16-11)12-6-3-9-17-12/h1-9H/q+1
InChIKeyWGRFRYJUHRDRHU-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.83
LogP ≤ 54.32
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

bromo(trithiophen-2-yl)phosphanium
CID 171527856
(3S)-3-chloro-N-methyl-3-thiophen-2-ylpropan-1-amine
CID 89397451
potassium thiophen-2-olate
CID 57445229
2-thiophen-2-yliodanuidylthiophene
CID 139891725
2-propan-2-ylthiophene
CID 178128598
2-methylthiophene;toluene
CID 142082990
(3S)-3-chloro-3-thiophen-2-ylpropan-1-ol
CID 69099152
2-(1-chloro-3-methylbutyl)thiophene
CID 61085151
(2,2-Dichloroethyl)(thiophen-2-yl)silane
CID 78060718
2-bromothiophene;molecular nitrogen
CID 91328293
(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
CID 156789144
1,2-dithiophen-2-ylethane-1,2-diol
CID 11128014

Frequently Asked Questions

What is the IUPAC name of chloro(trithiophen-2-yl)phosphanium?
The IUPAC name of chloro(trithiophen-2-yl)phosphanium (CID 102332443) is chloro(trithiophen-2-yl)phosphanium.
What is the SMILES notation for chloro(trithiophen-2-yl)phosphanium?
The canonical SMILES for chloro(trithiophen-2-yl)phosphanium is Cl[P+](c1cccs1)(c1cccs1)c1cccs1.
What is the InChIKey of chloro(trithiophen-2-yl)phosphanium?
The InChIKey is WGRFRYJUHRDRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClPS3/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 chloro(trithiophen-2-yl)phosphanium?
chloro(trithiophen-2-yl)phosphanium has a molecular weight of 315.83 g/mol, XLogP of 4.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro(trithiophen-2-yl)phosphanium is sourced from PubChem (CID 102332443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).