dihydroxy-methoxy-sulfanylidene-λ5-phosphane;dihydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane;1-[methyl(sulfanyl)phosphoryl]oxyethane

C11H23O8P3S3 — CID 160799266

IUPACdihydroxy-methoxy-sulfanylidene-λ5-phosphane;dihydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane;1-[methyl(sulfanyl)phosphoryl]oxyethane
SMILESCCOP(C)(=O)S.COP(O)(O)=S.Cc1ccc(OP(O)(O)=S)cc1
InChIInChI=1S/C7H9O3PS.C3H9O2PS.CH5O3PS/c1-6-2-4-7(5-3-6)10-11(8,9)12;1-3-5-6(2,4)7;1-4-5(2,3)6/h2-5H,1H3,(H2,8,9,12);3H2,1-2H3,(H,4,7);1H3,(H2,2,3,6)
InChIKeySCVQSKXVLNADLT-UHFFFAOYSA-N
MW472.42 g/mol
LogP3.20
Rot. Bonds5

About dihydroxy-methoxy-sulfanylidene-λ5-phosphane;dihydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane;1-[methyl(sulfanyl)phosphoryl]oxyethane

dihydroxy-methoxy-sulfanylidene-λ5-phosphane;dihydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane;1-[methyl(sulfanyl)phosphoryl]oxyethane (PubChem CID 160799266) has the molecular formula C11H23O8P3S3 and a molecular weight of 472.42 g/mol. Its IUPAC name is dihydroxy-methoxy-sulfanylidene-λ5-phosphane;dihydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane;1-[methyl(sulfanyl)phosphoryl]oxyethane.

Molecular Properties

Compound Namedihydroxy-methoxy-sulfanylidene-λ5-phosphane;dihydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane;1-[methyl(sulfanyl)phosphoryl]oxyethane
PubChem CID160799266
Molecular FormulaC11H23O8P3S3
Molecular Weight472.42 g/mol
Exact Mass471.98
IUPAC Namedihydroxy-methoxy-sulfanylidene-λ5-phosphane;dihydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane;1-[methyl(sulfanyl)phosphoryl]oxyethane
SMILESCCOP(C)(=O)S.COP(O)(O)=S.Cc1ccc(OP(O)(O)=S)cc1
InChIInChI=1S/C7H9O3PS.C3H9O2PS.CH5O3PS/c1-6-2-4-7(5-3-6)10-11(8,9)12;1-3-5-6(2,4)7;1-4-5(2,3)6/h2-5H,1H3,(H2,8,9,12);3H2,1-2H3,(H,4,7);1H3,(H2,2,3,6)
InChIKeySCVQSKXVLNADLT-UHFFFAOYSA-N
XLogP3.20
TPSA125.68 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.42
LogP ≤ 53.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-(4-diethoxyphosphinothioyloxyphenyl)phenoxy]-diethoxy-sulfanylidene-λ5-phosphane
CID 134111736
hexoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 174576787
dodecoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 174560483
hydroperoxy-hydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane
CID 174646420
1-[butylsulfanyl(methoxy)phosphoryl]oxy-4-methylbenzene
CID 15121849
4-diethoxyphosphinothioyloxybenzoic acid
CID 91003120
(4-methylphenyl) 2-methylpropyl hydrogen phosphate
CID 175181889
guanidine;tris(4-methylphenyl) phosphate
CID 174666198
hydroxy-(4-methylphenoxy)-phenylmethoxy-sulfanylidene-λ5-phosphane
CID 174823623
3-[hydroxy-(4-methylphenoxy)phosphoryl]oxypropanoic acid
CID 175308769
alumane;tris(4-methylphenyl) phosphate
CID 174515145
CID 67928069
CID 67928069

Frequently Asked Questions

What is the IUPAC name of dihydroxy-methoxy-sulfanylidene-λ5-phosphane;dihydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane;1-[methyl(sulfanyl)phosphoryl]oxyethane?
The IUPAC name of dihydroxy-methoxy-sulfanylidene-λ5-phosphane;dihydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane;1-[methyl(sulfanyl)phosphoryl]oxyethane (CID 160799266) is dihydroxy-methoxy-sulfanylidene-λ5-phosphane;dihydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane;1-[methyl(sulfanyl)phosphoryl]oxyethane.
What is the SMILES notation for dihydroxy-methoxy-sulfanylidene-λ5-phosphane;dihydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane;1-[methyl(sulfanyl)phosphoryl]oxyethane?
The canonical SMILES for dihydroxy-methoxy-sulfanylidene-λ5-phosphane;dihydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane;1-[methyl(sulfanyl)phosphoryl]oxyethane is CCOP(C)(=O)S.COP(O)(O)=S.Cc1ccc(OP(O)(O)=S)cc1.
What is the InChIKey of dihydroxy-methoxy-sulfanylidene-λ5-phosphane;dihydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane;1-[methyl(sulfanyl)phosphoryl]oxyethane?
The InChIKey is SCVQSKXVLNADLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9O3PS.C3H9O2PS.CH5O3PS/c1-6-2-4-7(5-3-6)10-11(8,9)12;1-3-5-6(2,4)7;1-4-5(2,3)6/h2-5H,1H3,(H2,8,9,12);3H2,1-2H3,(H,4,7);1H3,(H2,2,3,6).
What are the key properties of dihydroxy-methoxy-sulfanylidene-λ5-phosphane;dihydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane;1-[methyl(sulfanyl)phosphoryl]oxyethane?
dihydroxy-methoxy-sulfanylidene-λ5-phosphane;dihydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane;1-[methyl(sulfanyl)phosphoryl]oxyethane has a molecular weight of 472.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy-methoxy-sulfanylidene-λ5-phosphane;dihydroxy-(4-methylphenoxy)-sulfanylidene-λ5-phosphane;1-[methyl(sulfanyl)phosphoryl]oxyethane is sourced from PubChem (CID 160799266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).