oxolan-3-yloxy(sulfanyl)phosphinous acid

C4H9O3PS — CID 167126046

IUPACoxolan-3-yloxy(sulfanyl)phosphinous acid
SMILESOP(S)OC1CCOC1
InChIInChI=1S/C4H9O3PS/c5-8(9)7-4-1-2-6-3-4/h4-5,9H,1-3H2
InChIKeyZSBGGWBCIDAIIP-UHFFFAOYSA-N
MW168.15 g/mol
LogP0.94
Rot. Bonds2

About oxolan-3-yloxy(sulfanyl)phosphinous acid

oxolan-3-yloxy(sulfanyl)phosphinous acid (PubChem CID 167126046) has the molecular formula C4H9O3PS and a molecular weight of 168.15 g/mol. Its IUPAC name is oxolan-3-yloxy(sulfanyl)phosphinous acid.

Molecular Properties

Compound Nameoxolan-3-yloxy(sulfanyl)phosphinous acid
PubChem CID167126046
Molecular FormulaC4H9O3PS
Molecular Weight168.15 g/mol
Exact Mass168.00
IUPAC Nameoxolan-3-yloxy(sulfanyl)phosphinous acid
SMILESOP(S)OC1CCOC1
InChIInChI=1S/C4H9O3PS/c5-8(9)7-4-1-2-6-3-4/h4-5,9H,1-3H2
InChIKeyZSBGGWBCIDAIIP-UHFFFAOYSA-N
XLogP0.94
TPSA38.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(oxolan-3-yloxy)oxolane
CID 57449306
(3S)-3-[(3S)-oxolan-3-yl]oxyoxolane
CID 142760220
oxolan-3-yloxyphosphane
CID 163403367
[(3R)-oxolan-3-yl] hydrogen carbonate
CID 67122885
CID 163830493
CID 163830493
[(3S)-oxolan-3-yl] formate
CID 22868233
[(3R)-oxolan-3-yl] nitrite
CID 145031788
3-(trifluoromethoxy)oxolane
CID 89404846
ethane;3-ethoxyoxolane
CID 142523367
3-propoxyoxolane
CID 14071397
3-(3-bromocyclobutyl)oxyoxolane
CID 66344761
4-[(3R)-oxolan-3-yl]oxypiperidine
CID 95305973

Frequently Asked Questions

What is the IUPAC name of oxolan-3-yloxy(sulfanyl)phosphinous acid?
The IUPAC name of oxolan-3-yloxy(sulfanyl)phosphinous acid (CID 167126046) is oxolan-3-yloxy(sulfanyl)phosphinous acid.
What is the SMILES notation for oxolan-3-yloxy(sulfanyl)phosphinous acid?
The canonical SMILES for oxolan-3-yloxy(sulfanyl)phosphinous acid is OP(S)OC1CCOC1.
What is the InChIKey of oxolan-3-yloxy(sulfanyl)phosphinous acid?
The InChIKey is ZSBGGWBCIDAIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9O3PS/c5-8(9)7-4-1-2-6-3-4/h4-5,9H,1-3H2.
What are the key properties of oxolan-3-yloxy(sulfanyl)phosphinous acid?
oxolan-3-yloxy(sulfanyl)phosphinous acid has a molecular weight of 168.15 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for oxolan-3-yloxy(sulfanyl)phosphinous acid is sourced from PubChem (CID 167126046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).