bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]-sulfanyl-sulfanylidene-λ5-phosphane;1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-ol;di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane

C105H227O23P11S22 — CID 161282237

IUPACbis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]-sulfanyl-sulfanylidene-λ5-phosphane;1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-ol;di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCC(C)CC(C)OP(=S)(OC(C)CC(C)C)SCC(C)OP(=S)(OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C)SCC(C)O.CC(C)CC(C)OP(=S)(OC(C)CC(C)C)SCC(C)OP(=S)(OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C)SCC(C)OP(=S)(S)OC(C)CSP(=S)(OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C)OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C.CC(C)OP(=S)(S)OC(C)C
InChIInChI=1S/C66H141O14P7S14.C33H71O7P3S6.C6H15O2PS2/c1-45(2)31-53(17)69-82(90,70-54(18)32-46(3)4)98-41-63(27)77-86(94,78-64(28)42-99-83(91,71-55(19)33-47(5)6)72-56(20)34-48(7)8)96-39-61(25)67-81(88,89)68-62(26)40-97-87(95,79-65(29)43-100-84(92,73-57(21)35-49(9)10)74-58(22)36-50(11)12)80-66(30)44-101-85(93,75-59(23)37-51(13)14)76-60(24)38-52(15)16;1-23(2)16-28(10)35-41(44,36-29(11)17-24(3)4)48-21-32(14)39-43(46,47-20-27(9)34)40-33(15)22-49-42(45,37-30(12)18-25(5)6)38-31(13)19-26(7)8;1-5(2)7-9(10,11)8-6(3)4/h45-66H,31-44H2,1-30H3,(H,88,89);23-34H,16-22H2,1-15H3;5-6H,1-4H3,(H,10,11)
InChIKeyVFFZBUSLQDEGFF-UHFFFAOYSA-N
MW2904.14 g/mol
LogP43.77
Rot. Bonds95

About bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]-sulfanyl-sulfanylidene-λ5-phosphane;1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-ol;di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane

bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]-sulfanyl-sulfanylidene-λ5-phosphane;1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-ol;di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane (PubChem CID 161282237) has the molecular formula C105H227O23P11S22 and a molecular weight of 2904.14 g/mol. Its IUPAC name is bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]-sulfanyl-sulfanylidene-λ5-phosphane;1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-ol;di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namebis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]-sulfanyl-sulfanylidene-λ5-phosphane;1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-ol;di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane
PubChem CID161282237
Molecular FormulaC105H227O23P11S22
Molecular Weight2904.14 g/mol
Exact Mass2900.76
IUPAC Namebis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]-sulfanyl-sulfanylidene-λ5-phosphane;1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-ol;di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane
SMILESCC(C)CC(C)OP(=S)(OC(C)CC(C)C)SCC(C)OP(=S)(OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C)SCC(C)O.CC(C)CC(C)OP(=S)(OC(C)CC(C)C)SCC(C)OP(=S)(OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C)SCC(C)OP(=S)(S)OC(C)CSP(=S)(OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C)OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C.CC(C)OP(=S)(S)OC(C)C
InChIInChI=1S/C66H141O14P7S14.C33H71O7P3S6.C6H15O2PS2/c1-45(2)31-53(17)69-82(90,70-54(18)32-46(3)4)98-41-63(27)77-86(94,78-64(28)42-99-83(91,71-55(19)33-47(5)6)72-56(20)34-48(7)8)96-39-61(25)67-81(88,89)68-62(26)40-97-87(95,79-65(29)43-100-84(92,73-57(21)35-49(9)10)74-58(22)36-50(11)12)80-66(30)44-101-85(93,75-59(23)37-51(13)14)76-60(24)38-52(15)16;1-23(2)16-28(10)35-41(44,36-29(11)17-24(3)4)48-21-32(14)39-43(46,47-20-27(9)34)40-33(15)22-49-42(45,37-30(12)18-25(5)6)38-31(13)19-26(7)8;1-5(2)7-9(10,11)8-6(3)4/h45-66H,31-44H2,1-30H3,(H,88,89);23-34H,16-22H2,1-15H3;5-6H,1-4H3,(H,10,11)
InChIKeyVFFZBUSLQDEGFF-UHFFFAOYSA-N
XLogP43.77
TPSA223.29 Ų
H-Bond Donors3
H-Bond Acceptors43
Rotatable Bonds95
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002904.14
LogP ≤ 543.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

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

Analyze bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]-sulfanyl-sulfanylidene-λ5-phosphane;1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-ol;di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane with MolForge

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Related Compounds

bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yl] methyl phosphate
CID 121277546
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
butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 22833363
methyl 3-[bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate
CID 122658890
3-[bis[1-[bis[1-di(propan-2-yloxy)phosphinothioylsulfanylpropan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoic acid
CID 122658943
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
1-di(propan-2-yloxy)phosphorylsulfanylpropan-2-ol
CID 134469659
3-di(propan-2-yloxy)phosphinothioylsulfanyl-2-methylpropanoic acid
CID 58079392
dihydroxy-(4-methylpentan-2-yloxy)-sulfanylidene-lambda5-phosphane
CID 10241836
methyl 3-[bis[1-[bis[1-[bis(2-methylpropoxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propanoate
CID 122658927
1-[1-[bis(2-methylpropoxy)phosphorylsulfanyl]propan-2-yloxy-[1-[2-methylbutoxy(2-methylpropoxy)phosphoryl]sulfanylpropan-2-yloxy]phosphoryl]sulfanylpropan-2-ol
CID 162483316
ethyl 3-[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphorylsulfanyl]propan-2-yloxy]phosphorylsulfanyl]propan-2-yloxy-propan-2-yloxyphosphoryl]sulfanylpropanoate
CID 146388692

Frequently Asked Questions

What is the IUPAC name of bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]-sulfanyl-sulfanylidene-λ5-phosphane;1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-ol;di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane?
The IUPAC name of bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]-sulfanyl-sulfanylidene-λ5-phosphane;1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-ol;di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane (CID 161282237) is bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]-sulfanyl-sulfanylidene-λ5-phosphane;1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-ol;di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane.
What is the SMILES notation for bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]-sulfanyl-sulfanylidene-λ5-phosphane;1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-ol;di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane?
The canonical SMILES for bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]-sulfanyl-sulfanylidene-λ5-phosphane;1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-ol;di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane is CC(C)CC(C)OP(=S)(OC(C)CC(C)C)SCC(C)OP(=S)(OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C)SCC(C)O.CC(C)CC(C)OP(=S)(OC(C)CC(C)C)SCC(C)OP(=S)(OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C)SCC(C)OP(=S)(S)OC(C)CSP(=S)(OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C)OC(C)CSP(=S)(OC(C)CC(C)C)OC(C)CC(C)C.CC(C)OP(=S)(S)OC(C)C.
What is the InChIKey of bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]-sulfanyl-sulfanylidene-λ5-phosphane;1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-ol;di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane?
The InChIKey is VFFZBUSLQDEGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H141O14P7S14.C33H71O7P3S6.C6H15O2PS2/c1-45(2)31-53(17)69-82(90,70-54(18)32-46(3)4)98-41-63(27)77-86(94,78-64(28)42-99-83(91,71-55(19)33-47(5)6)72-56(20)34-48(7)8)96-39-61(25)67-81(88,89)68-62(26)40-97-87(95,79-65(29)43-100-84(92,73-57(21)35-49(9)10)74-58(22)36-50(11)12)80-66(30)44-101-85(93,75-59(23)37-51(13)14)76-60(24)38-52(15)16;1-23(2)16-28(10)35-41(44,36-29(11)17-24(3)4)48-21-32(14)39-43(46,47-20-27(9)34)40-33(15)22-49-42(45,37-30(12)18-25(5)6)38-31(13)19-26(7)8;1-5(2)7-9(10,11)8-6(3)4/h45-66H,31-44H2,1-30H3,(H,88,89);23-34H,16-22H2,1-15H3;5-6H,1-4H3,(H,10,11).
What are the key properties of bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]-sulfanyl-sulfanylidene-λ5-phosphane;1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-ol;di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane?
bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]-sulfanyl-sulfanylidene-λ5-phosphane;1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-ol;di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane has a molecular weight of 2904.14 g/mol, XLogP of 43.77, 95 rotatable bonds, 3 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-yloxy]-sulfanyl-sulfanylidene-λ5-phosphane;1-[bis[1-[bis(4-methylpentan-2-yloxy)phosphinothioylsulfanyl]propan-2-yloxy]phosphinothioylsulfanyl]propan-2-ol;di(propan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 161282237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).