dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane

C17H38O4P2S4 — CID 6612212

IUPACdibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
SMILESCCCCOP(=S)(OCCCC)SCSP(=S)(OCCCC)OCCCC
InChIInChI=1S/C17H38O4P2S4/c1-5-9-13-18-22(24,19-14-10-6-2)26-17-27-23(25,20-15-11-7-3)21-16-12-8-4/h5-17H2,1-4H3
InChIKeyIHHCEMIOBKRBFL-UHFFFAOYSA-N
MW496.70 g/mol
LogP8.13
Rot. Bonds20

About dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane

dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane (PubChem CID 6612212) has the molecular formula C17H38O4P2S4 and a molecular weight of 496.70 g/mol. Its IUPAC name is dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane.

Molecular Properties

Compound Namedibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
PubChem CID6612212
Molecular FormulaC17H38O4P2S4
Molecular Weight496.70 g/mol
Exact Mass496.11
IUPAC Namedibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane
SMILESCCCCOP(=S)(OCCCC)SCSP(=S)(OCCCC)OCCCC
InChIInChI=1S/C17H38O4P2S4/c1-5-9-13-18-22(24,19-14-10-6-2)26-17-27-23(25,20-15-11-7-3)21-16-12-8-4/h5-17H2,1-4H3
InChIKeyIHHCEMIOBKRBFL-UHFFFAOYSA-N
XLogP8.13
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds20
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.70
LogP ≤ 58.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

dibutoxy-(chloromethylsulfanyl)-sulfanylidene-λ5-phosphane
CID 165364450
didecoxy-decylsulfanyl-sulfanylidene-lambda5-phosphane
CID 12598537
3-dibutoxyphosphinothioylsulfanylpropanoic acid
CID 12736290
(dihexadecoxyphosphinothioyldisulfanyl)-dihexadecoxy-sulfanylidene-λ5-phosphane
CID 12599758
bis(dibutoxy-oxido-sulfanylidene-λ5-phosphane);lead(2+)
CID 88816119
4-dibutoxyphosphinothioylsulfanylbutyl hydrogen sulfate
CID 15851141
dibutoxy-sulfanyl-sulfanylidene-λ5-phosphane;iron
CID 161397250
CID 156594251
CID 156594251
CID 141192629
CID 141192629
diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 87195358
1-[butylsulfanyl(methyl)phosphoryl]oxybutane
CID 3084236
butoxy-chloro-ethyl-sulfanylidene-λ5-phosphane
CID 23412944

Frequently Asked Questions

What is the IUPAC name of dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The IUPAC name of dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane (CID 6612212) is dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane.
What is the SMILES notation for dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The canonical SMILES for dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane is CCCCOP(=S)(OCCCC)SCSP(=S)(OCCCC)OCCCC.
What is the InChIKey of dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane?
The InChIKey is IHHCEMIOBKRBFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H38O4P2S4/c1-5-9-13-18-22(24,19-14-10-6-2)26-17-27-23(25,20-15-11-7-3)21-16-12-8-4/h5-17H2,1-4H3.
What are the key properties of dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane?
dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane has a molecular weight of 496.70 g/mol, XLogP of 8.13, 20 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for dibutoxy-(dibutoxyphosphinothioylsulfanylmethylsulfanyl)-sulfanylidene-lambda5-phosphane is sourced from PubChem (CID 6612212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).