chlorosulfanyl(ethoxy)phosphinic acid

C2H6ClO3PS — CID 174460184

IUPACchlorosulfanyl(ethoxy)phosphinic acid
SMILESCCOP(=O)(O)SCl
InChIInChI=1S/C2H6ClO3PS/c1-2-6-7(4,5)8-3/h2H2,1H3,(H,4,5)
InChIKeyCYTCPRXKAHNTMV-UHFFFAOYSA-N
MW176.56 g/mol
LogP2.01
Rot. Bonds3

About chlorosulfanyl(ethoxy)phosphinic acid

chlorosulfanyl(ethoxy)phosphinic acid (PubChem CID 174460184) has the molecular formula C2H6ClO3PS and a molecular weight of 176.56 g/mol. Its IUPAC name is chlorosulfanyl(ethoxy)phosphinic acid.

Molecular Properties

Compound Namechlorosulfanyl(ethoxy)phosphinic acid
PubChem CID174460184
Molecular FormulaC2H6ClO3PS
Molecular Weight176.56 g/mol
Exact Mass175.95
IUPAC Namechlorosulfanyl(ethoxy)phosphinic acid
SMILESCCOP(=O)(O)SCl
InChIInChI=1S/C2H6ClO3PS/c1-2-6-7(4,5)8-3/h2H2,1H3,(H,4,5)
InChIKeyCYTCPRXKAHNTMV-UHFFFAOYSA-N
XLogP2.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.56
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

alumane;tris(ethyl dihydrogen phosphate)
CID 173189565
copper;diethyl hydrogen phosphate
CID 174593393
diethyl hydrogen phosphate;phosphoric acid
CID 87753541
alumane;ethyl dihydrogen phosphate
CID 173113989
CID 54611578
CID 54611578
diethyl hydrogen phosphate;sulfane
CID 88774651
azane;bis(ethyl dihydrogen phosphate)
CID 174611775
diethyl hydrogen phosphate;scandium
CID 54607585
CID 87495286
CID 87495286
ethoxy(2-ethoxyethylsulfanyl)phosphinic acid;hydrochloride
CID 88697617
potassium;tris(ethyl dihydrogen phosphate);hydride
CID 173395794
CID 87274277
CID 87274277

Frequently Asked Questions

What is the IUPAC name of chlorosulfanyl(ethoxy)phosphinic acid?
The IUPAC name of chlorosulfanyl(ethoxy)phosphinic acid (CID 174460184) is chlorosulfanyl(ethoxy)phosphinic acid.
What is the SMILES notation for chlorosulfanyl(ethoxy)phosphinic acid?
The canonical SMILES for chlorosulfanyl(ethoxy)phosphinic acid is CCOP(=O)(O)SCl.
What is the InChIKey of chlorosulfanyl(ethoxy)phosphinic acid?
The InChIKey is CYTCPRXKAHNTMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6ClO3PS/c1-2-6-7(4,5)8-3/h2H2,1H3,(H,4,5).
What are the key properties of chlorosulfanyl(ethoxy)phosphinic acid?
chlorosulfanyl(ethoxy)phosphinic acid has a molecular weight of 176.56 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chlorosulfanyl(ethoxy)phosphinic acid is sourced from PubChem (CID 174460184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).