methyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate

C9H19O4PS2 — CID 101152507

IUPACmethyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate
SMILESCOC(=O)CSP(=S)(OC(C)C)OC(C)C
InChIInChI=1S/C9H19O4PS2/c1-7(2)12-14(15,13-8(3)4)16-6-9(10)11-5/h7-8H,6H2,1-5H3
InChIKeyQFRDHVXPJBEEEW-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.97
Rot. Bonds7

About methyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate

methyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate (PubChem CID 101152507) has the molecular formula C9H19O4PS2 and a molecular weight of 286.36 g/mol. Its IUPAC name is methyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate.

Molecular Properties

Compound Namemethyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate
PubChem CID101152507
Molecular FormulaC9H19O4PS2
Molecular Weight286.36 g/mol
Exact Mass286.05
IUPAC Namemethyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate
SMILESCOC(=O)CSP(=S)(OC(C)C)OC(C)C
InChIInChI=1S/C9H19O4PS2/c1-7(2)12-14(15,13-8(3)4)16-6-9(10)11-5/h7-8H,6H2,1-5H3
InChIKeyQFRDHVXPJBEEEW-UHFFFAOYSA-N
XLogP2.97
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[bis[1-[bis[1-di(propan-2-yloxy)phosphinothioylsulfanylpropan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate;methyl 3-[1-[bis[1-di(propan-2-yloxy)phosphinothioylsulfanylpropan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy-propan-2-yloxyphosphinothioyl]sulfanylpropanoate
CID 158588670
3-di(propan-2-yloxy)phosphinothioylsulfanyl-2-methylpropanoic acid
CID 58079392
methyl 3-[bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate;methyl 3-[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy-propan-2-yloxyphosphinothioyl]sulfanylpropanoate
CID 162102336
methyl 3-[bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate
CID 122658890
methyl 2-[bis[(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]phosphinothioylsulfanyl]acetate
CID 164686159
3-[bis[1-[bis[1-di(propan-2-yloxy)phosphinothioylsulfanylpropan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoic acid
CID 122658943
methyl 3-dimethoxyphosphinothioylsulfanylbutanoate
CID 123905574
methyl 3-[bis[1-[bis[1-[bis(2-methylpropoxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate
CID 122658927
methyl 2-diethoxyphosphorylsulfanylacetate
CID 121232781
methyl 2-[[chloro(propan-2-yloxy)phosphinothioyl]amino]propanoate
CID 15539826
2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide;hydrate
CID 121304179
ethyl 2-diethoxyphosphinothioylsulfanylacetate
CID 13524

Frequently Asked Questions

What is the IUPAC name of methyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate?
The IUPAC name of methyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate (CID 101152507) is methyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate.
What is the SMILES notation for methyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate?
The canonical SMILES for methyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate is COC(=O)CSP(=S)(OC(C)C)OC(C)C.
What is the InChIKey of methyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate?
The InChIKey is QFRDHVXPJBEEEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19O4PS2/c1-7(2)12-14(15,13-8(3)4)16-6-9(10)11-5/h7-8H,6H2,1-5H3.
What are the key properties of methyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate?
methyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate has a molecular weight of 286.36 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-di(propan-2-yloxy)phosphinothioylsulfanylacetate is sourced from PubChem (CID 101152507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).