hydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane

C5H13O4PS — CID 58974551

IUPAChydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane
SMILESCOCCCOP(O)(=S)OC
InChIInChI=1S/C5H13O4PS/c1-7-4-3-5-9-10(6,11)8-2/h3-5H2,1-2H3,(H,6,11)
InChIKeyIIOWGDUJZVOTAL-UHFFFAOYSA-N
MW200.20 g/mol
LogP0.90
Rot. Bonds6

About hydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane

hydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane (PubChem CID 58974551) has the molecular formula C5H13O4PS and a molecular weight of 200.20 g/mol. Its IUPAC name is hydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namehydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane
PubChem CID58974551
Molecular FormulaC5H13O4PS
Molecular Weight200.20 g/mol
Exact Mass200.03
IUPAC Namehydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane
SMILESCOCCCOP(O)(=S)OC
InChIInChI=1S/C5H13O4PS/c1-7-4-3-5-9-10(6,11)8-2/h3-5H2,1-2H3,(H,6,11)
InChIKeyIIOWGDUJZVOTAL-UHFFFAOYSA-N
XLogP0.90
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze hydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

12-[hydroxy(methoxy)phosphinothioyl]oxydodecan-1-ol
CID 123445050
12-[hydroxy(methoxy)phosphinothioyl]oxy-N-methyldodecan-1-amine
CID 177366148
6-[hydroxy(methoxy)phosphinothioyl]oxy-N-methylhexan-1-amine
CID 177366153
hydroxy-dimethoxy-sulfanylidene-λ5-phosphane
CID 158776888
azane;hydroxy-dimethoxy-sulfanylidene-lambda5-phosphane
CID 14041230
butoxy-ethoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 23335262
butoxy-hexoxy-hydroxy-sulfanylidene-λ5-phosphane
CID 89235788
bis(4-chlorobutoxy)-hydroxy-sulfanylidene-λ5-phosphane
CID 53306789
hexa-1,3,5-triyne;1-[hydroxy(methoxy)phosphinothioyl]oxytricosan-8-one;methane;methanol
CID 159802693
N-[chloro(methoxy)phosphinothioyl]-3-methoxypropan-1-amine
CID 13343589
bis(bis[2-(2-methoxyethoxy)ethoxy]-sulfanylidene-sulfido-λ5-phosphane);platinum(2+)
CID 11520753
[hexoxy(hydroxy)phosphinothioyl]oxy dihydrogen phosphate
CID 88808083

Frequently Asked Questions

What is the IUPAC name of hydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane?
The IUPAC name of hydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane (CID 58974551) is hydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for hydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane?
The canonical SMILES for hydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane is COCCCOP(O)(=S)OC.
What is the InChIKey of hydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane?
The InChIKey is IIOWGDUJZVOTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13O4PS/c1-7-4-3-5-9-10(6,11)8-2/h3-5H2,1-2H3,(H,6,11).
What are the key properties of hydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane?
hydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane has a molecular weight of 200.20 g/mol, XLogP of 0.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-methoxy-(3-methoxypropoxy)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 58974551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).