phenoxyphosphinothious acid

C6H7OPS — CID 88675706

IUPACphenoxyphosphinothious acid
SMILESSPOc1ccccc1
InChIInChI=1S/C6H7OPS/c9-8-7-6-4-2-1-3-5-6/h1-5,8-9H
InChIKeyVJMLDNGZDUTRSN-UHFFFAOYSA-N
MW158.16 g/mol
LogP2.50
Rot. Bonds2

About phenoxyphosphinothious acid

phenoxyphosphinothious acid (PubChem CID 88675706) has the molecular formula C6H7OPS and a molecular weight of 158.16 g/mol. Its IUPAC name is phenoxyphosphinothious acid.

Molecular Properties

Compound Namephenoxyphosphinothious acid
PubChem CID88675706
Molecular FormulaC6H7OPS
Molecular Weight158.16 g/mol
Exact Mass158.00
IUPAC Namephenoxyphosphinothious acid
SMILESSPOc1ccccc1
InChIInChI=1S/C6H7OPS/c9-8-7-6-4-2-1-3-5-6/h1-5,8-9H
InChIKeyVJMLDNGZDUTRSN-UHFFFAOYSA-N
XLogP2.50
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

diphenoxyphosphane chloride
CID 19706010
sodium phenoxyphosphinite
CID 70406728
anisole;trihydrofluoride
CID 174796385
O-phenylhydroxylamine;zinc
CID 175464016
CID 172685187
CID 172685187
anisole;hydrochloride
CID 158800007
O-phenylhydroxylamine;zirconium
CID 174144426
1,1,2,2,2-pentafluoroethyl(phenoxy)phosphane
CID 175406720
O-phenoxyhydroxylamine
CID 20645120
acetylene;anisole
CID 86033716
potassium phenoxybenzene
CID 19858586
iron;phenoxybenzene
CID 174434720

Frequently Asked Questions

What is the IUPAC name of phenoxyphosphinothious acid?
The IUPAC name of phenoxyphosphinothious acid (CID 88675706) is phenoxyphosphinothious acid.
What is the SMILES notation for phenoxyphosphinothious acid?
The canonical SMILES for phenoxyphosphinothious acid is SPOc1ccccc1.
What is the InChIKey of phenoxyphosphinothious acid?
The InChIKey is VJMLDNGZDUTRSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7OPS/c9-8-7-6-4-2-1-3-5-6/h1-5,8-9H.
What are the key properties of phenoxyphosphinothious acid?
phenoxyphosphinothious acid has a molecular weight of 158.16 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenoxyphosphinothious acid is sourced from PubChem (CID 88675706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).