tetrakis(1-methoxypropane);phosphanyl-bis(sulfanyl)phosphane

C16H44O4P2S2 — CID 173157060

IUPACtetrakis(1-methoxypropane);phosphanyl-bis(sulfanyl)phosphane
SMILESCCCOC.CCCOC.CCCOC.CCCOC.PP(S)S
InChIInChI=1S/4C4H10O.H4P2S2/c4*1-3-4-5-2;1-2(3)4/h4*3-4H2,1-2H3;3-4H,1H2
InChIKeyGRXGGUMDRCCVOX-UHFFFAOYSA-N
MW426.61 g/mol
LogP6.12
Rot. Bonds8

About tetrakis(1-methoxypropane);phosphanyl-bis(sulfanyl)phosphane

tetrakis(1-methoxypropane);phosphanyl-bis(sulfanyl)phosphane (PubChem CID 173157060) has the molecular formula C16H44O4P2S2 and a molecular weight of 426.61 g/mol. Its IUPAC name is tetrakis(1-methoxypropane);phosphanyl-bis(sulfanyl)phosphane.

Molecular Properties

Compound Nametetrakis(1-methoxypropane);phosphanyl-bis(sulfanyl)phosphane
PubChem CID173157060
Molecular FormulaC16H44O4P2S2
Molecular Weight426.61 g/mol
Exact Mass426.22
IUPAC Nametetrakis(1-methoxypropane);phosphanyl-bis(sulfanyl)phosphane
SMILESCCCOC.CCCOC.CCCOC.CCCOC.PP(S)S
InChIInChI=1S/4C4H10O.H4P2S2/c4*1-3-4-5-2;1-2(3)4/h4*3-4H2,1-2H3;3-4H,1H2
InChIKeyGRXGGUMDRCCVOX-UHFFFAOYSA-N
XLogP6.12
TPSA36.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.61
LogP ≤ 56.12
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of tetrakis(1-methoxypropane);phosphanyl-bis(sulfanyl)phosphane?
The IUPAC name of tetrakis(1-methoxypropane);phosphanyl-bis(sulfanyl)phosphane (CID 173157060) is tetrakis(1-methoxypropane);phosphanyl-bis(sulfanyl)phosphane.
What is the SMILES notation for tetrakis(1-methoxypropane);phosphanyl-bis(sulfanyl)phosphane?
The canonical SMILES for tetrakis(1-methoxypropane);phosphanyl-bis(sulfanyl)phosphane is CCCOC.CCCOC.CCCOC.CCCOC.PP(S)S.
What is the InChIKey of tetrakis(1-methoxypropane);phosphanyl-bis(sulfanyl)phosphane?
The InChIKey is GRXGGUMDRCCVOX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C4H10O.H4P2S2/c4*1-3-4-5-2;1-2(3)4/h4*3-4H2,1-2H3;3-4H,1H2.
What are the key properties of tetrakis(1-methoxypropane);phosphanyl-bis(sulfanyl)phosphane?
tetrakis(1-methoxypropane);phosphanyl-bis(sulfanyl)phosphane has a molecular weight of 426.61 g/mol, XLogP of 6.12, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tetrakis(1-methoxypropane);phosphanyl-bis(sulfanyl)phosphane is sourced from PubChem (CID 173157060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).