[chloro(1H-phenalen-1-yloxy)phosphinothioyl] hypochlorite

C13H9Cl2O2PS — CID 175294006

IUPAC[chloro(1H-phenalen-1-yloxy)phosphinothioyl] hypochlorite
SMILESS=P(Cl)(OCl)OC1C=Cc2cccc3cccc1c23
InChIInChI=1S/C13H9Cl2O2PS/c14-17-18(15,19)16-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-8,12H
InChIKeyMBCDIYQNXLXSTI-UHFFFAOYSA-N
MW331.16 g/mol
LogP5.56
Rot. Bonds3

About [chloro(1H-phenalen-1-yloxy)phosphinothioyl] hypochlorite

[chloro(1H-phenalen-1-yloxy)phosphinothioyl] hypochlorite (PubChem CID 175294006) has the molecular formula C13H9Cl2O2PS and a molecular weight of 331.16 g/mol. Its IUPAC name is [chloro(1H-phenalen-1-yloxy)phosphinothioyl] hypochlorite.

Molecular Properties

Compound Name[chloro(1H-phenalen-1-yloxy)phosphinothioyl] hypochlorite
PubChem CID175294006
Molecular FormulaC13H9Cl2O2PS
Molecular Weight331.16 g/mol
Exact Mass329.94
IUPAC Name[chloro(1H-phenalen-1-yloxy)phosphinothioyl] hypochlorite
SMILESS=P(Cl)(OCl)OC1C=Cc2cccc3cccc1c23
InChIInChI=1S/C13H9Cl2O2PS/c14-17-18(15,19)16-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-8,12H
InChIKeyMBCDIYQNXLXSTI-UHFFFAOYSA-N
XLogP5.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.16
LogP ≤ 55.56
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

1-chloro-1H-phenalene
CID 118456888
1H-phenalen-1-yl prop-2-enoate
CID 164546878
2-(1H-phenalen-1-yl)propanedial
CID 174396888
N-(1H-phenalen-1-yl)-1H-phenalen-1-amine
CID 23024201
1H-phenalen-1-yl 5,5-dimethylhexanoate
CID 174761552
CID 174146075
CID 174146075
CID 175041145
CID 175041145
cyclohexa-2,5-diene-1,4-dione;1H-phenalen-1-ol
CID 175310515
3,3-bis(1H-phenalen-1-yl)oxathiirane
CID 174584708
3,4-dimethyl-1-(1H-phenalen-1-yl)-1λ5-phosphole 1-oxide
CID 155317049
1-(1-phenylethenyl)-1H-phenalene
CID 174392625
1-pentyl-1H-phenalene
CID 70319795

Frequently Asked Questions

What is the IUPAC name of [chloro(1H-phenalen-1-yloxy)phosphinothioyl] hypochlorite?
The IUPAC name of [chloro(1H-phenalen-1-yloxy)phosphinothioyl] hypochlorite (CID 175294006) is [chloro(1H-phenalen-1-yloxy)phosphinothioyl] hypochlorite.
What is the SMILES notation for [chloro(1H-phenalen-1-yloxy)phosphinothioyl] hypochlorite?
The canonical SMILES for [chloro(1H-phenalen-1-yloxy)phosphinothioyl] hypochlorite is S=P(Cl)(OCl)OC1C=Cc2cccc3cccc1c23.
What is the InChIKey of [chloro(1H-phenalen-1-yloxy)phosphinothioyl] hypochlorite?
The InChIKey is MBCDIYQNXLXSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2O2PS/c14-17-18(15,19)16-12-8-7-10-4-1-3-9-5-2-6-11(12)13(9)10/h1-8,12H.
What are the key properties of [chloro(1H-phenalen-1-yloxy)phosphinothioyl] hypochlorite?
[chloro(1H-phenalen-1-yloxy)phosphinothioyl] hypochlorite has a molecular weight of 331.16 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro(1H-phenalen-1-yloxy)phosphinothioyl] hypochlorite is sourced from PubChem (CID 175294006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).