antimony(3+);tris(di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane)

C24H54O6P3S6Sb — CID 21199895

IUPACantimony(3+);tris(di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane)
SMILESCCC(C)OP(=S)([S-])OC(C)CC.CCC(C)OP(=S)([S-])OC(C)CC.CCC(C)OP(=S)([S-])OC(C)CC.[Sb+3]
InChIInChI=1S/3C8H19O2PS2.Sb/c3*1-5-7(3)9-11(12,13)10-8(4)6-2;/h3*7-8H,5-6H2,1-4H3,(H,12,13);/q;;;+3/p-3
InChIKeyISGONVLJPILQGR-UHFFFAOYSA-K
MW845.77 g/mol
LogP9.78
Rot. Bonds18

About antimony(3+);tris(di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane)

antimony(3+);tris(di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane) (PubChem CID 21199895) has the molecular formula C24H54O6P3S6Sb and a molecular weight of 845.77 g/mol. Its IUPAC name is antimony(3+);tris(di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane).

Molecular Properties

Compound Nameantimony(3+);tris(di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane)
PubChem CID21199895
Molecular FormulaC24H54O6P3S6Sb
Molecular Weight845.77 g/mol
Exact Mass844.05
IUPAC Nameantimony(3+);tris(di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane)
SMILESCCC(C)OP(=S)([S-])OC(C)CC.CCC(C)OP(=S)([S-])OC(C)CC.CCC(C)OP(=S)([S-])OC(C)CC.[Sb+3]
InChIInChI=1S/3C8H19O2PS2.Sb/c3*1-5-7(3)9-11(12,13)10-8(4)6-2;/h3*7-8H,5-6H2,1-4H3,(H,12,13);/q;;;+3/p-3
InChIKeyISGONVLJPILQGR-UHFFFAOYSA-K
XLogP9.78
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds18
Heavy Atoms40
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500845.77
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

trisodium;butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane;di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane
CID 160846660
zinc butan-2-yloxy-oxido-sulfanylidene-sulfido-λ5-phosphane
CID 88795040
azanium bis(4-methylpentan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane
CID 163360675
2-[amino(hydroxy)phosphinothioyl]oxybutane
CID 146586811
zinc bis(di(propan-2-yloxy)-sulfanylidene-sulfido-lambda5-phosphane)
CID 12896172
tributan-2-yl phosphate
CID 11482502
butan-2-yloxy-(4-methylpentan-2-yloxy)-sulfanyl-sulfanylidene-λ5-phosphane
CID 22833363
(2S)-2-[[(2S)-butan-2-yl]oxy-chlorophosphoryl]oxybutane
CID 129405221
CID 91437014
CID 91437014
butan-2-yl dipropan-2-yl phosphate
CID 71379379
dipotassium;butan-2-yl phosphate
CID 21353345
2-[chloro(ethyl)phosphoryl]oxybutane
CID 170850887

Frequently Asked Questions

What is the IUPAC name of antimony(3+);tris(di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane)?
The IUPAC name of antimony(3+);tris(di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane) (CID 21199895) is antimony(3+);tris(di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane).
What is the SMILES notation for antimony(3+);tris(di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane)?
The canonical SMILES for antimony(3+);tris(di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane) is CCC(C)OP(=S)([S-])OC(C)CC.CCC(C)OP(=S)([S-])OC(C)CC.CCC(C)OP(=S)([S-])OC(C)CC.[Sb+3].
What is the InChIKey of antimony(3+);tris(di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane)?
The InChIKey is ISGONVLJPILQGR-UHFFFAOYSA-K. The full InChI is InChI=1S/3C8H19O2PS2.Sb/c3*1-5-7(3)9-11(12,13)10-8(4)6-2;/h3*7-8H,5-6H2,1-4H3,(H,12,13);/q;;;+3/p-3.
What are the key properties of antimony(3+);tris(di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane)?
antimony(3+);tris(di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane) has a molecular weight of 845.77 g/mol, XLogP of 9.78, 18 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for antimony(3+);tris(di(butan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane) is sourced from PubChem (CID 21199895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).