1-[ethoxy(propylsulfanylmethylsulfanyl)phosphoryl]sulfanyl-2-methylpropane

C10H23O2PS3 — CID 88780070

IUPAC1-[ethoxy(propylsulfanylmethylsulfanyl)phosphoryl]sulfanyl-2-methylpropane
SMILESCCCSCSP(=O)(OCC)SCC(C)C
InChIInChI=1S/C10H23O2PS3/c1-5-7-14-9-16-13(11,12-6-2)15-8-10(3)4/h10H,5-9H2,1-4H3
InChIKeyZACYQYLRUOFNGW-UHFFFAOYSA-N
MW302.47 g/mol
LogP5.35
Rot. Bonds10

About 1-[ethoxy(propylsulfanylmethylsulfanyl)phosphoryl]sulfanyl-2-methylpropane

1-[ethoxy(propylsulfanylmethylsulfanyl)phosphoryl]sulfanyl-2-methylpropane (PubChem CID 88780070) has the molecular formula C10H23O2PS3 and a molecular weight of 302.47 g/mol. Its IUPAC name is 1-[ethoxy(propylsulfanylmethylsulfanyl)phosphoryl]sulfanyl-2-methylpropane.

Molecular Properties

Compound Name1-[ethoxy(propylsulfanylmethylsulfanyl)phosphoryl]sulfanyl-2-methylpropane
PubChem CID88780070
Molecular FormulaC10H23O2PS3
Molecular Weight302.47 g/mol
Exact Mass302.06
IUPAC Name1-[ethoxy(propylsulfanylmethylsulfanyl)phosphoryl]sulfanyl-2-methylpropane
SMILESCCCSCSP(=O)(OCC)SCC(C)C
InChIInChI=1S/C10H23O2PS3/c1-5-7-14-9-16-13(11,12-6-2)15-8-10(3)4/h10H,5-9H2,1-4H3
InChIKeyZACYQYLRUOFNGW-UHFFFAOYSA-N
XLogP5.35
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.47
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

1-[ethylsulfanyl(ethylsulfanylmethylsulfanyl)phosphoryl]oxyethane
CID 23337985
diethoxyphosphinothioylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 87195358
diethoxy-(2-ethylsulfanylethylsulfanyl)-sulfanylidene-λ5-phosphane;1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
CID 165360439
ethoxy-ethyl-(2-methylpropylsulfanyl)-sulfanylidene-lambda5-phosphane
CID 13296683
N-[ethoxy(2-methylpropylsulfanyl)phosphinothioyl]formamide
CID 88653940
2-[ethoxy(pentan-2-ylsulfanyl)phosphoryl]sulfanylpentane
CID 66524256
(2S)-2-[3-chloropropylsulfanyl(ethoxy)phosphoryl]sulfanylbutane
CID 22811655
1-[chloro(ethoxy)phosphoryl]sulfanyl-3-methylbutane
CID 21430275
1-diethoxyphosphoryl-1-(1-diethoxyphosphorylethyldisulfanyl)ethane
CID 12536435
5-[[ethoxy(propylsulfanyl)phosphoryl]sulfanylmethyl]-3-methyl-1,2,4-oxadiazole
CID 13248047
2-[propylsulfanyl(2,2,2-trifluoroethoxy)phosphoryl]sulfanylbutane
CID 13343966
S-propyl 2-diethoxyphosphorylpropanethioate
CID 15111680

Frequently Asked Questions

What is the IUPAC name of 1-[ethoxy(propylsulfanylmethylsulfanyl)phosphoryl]sulfanyl-2-methylpropane?
The IUPAC name of 1-[ethoxy(propylsulfanylmethylsulfanyl)phosphoryl]sulfanyl-2-methylpropane (CID 88780070) is 1-[ethoxy(propylsulfanylmethylsulfanyl)phosphoryl]sulfanyl-2-methylpropane.
What is the SMILES notation for 1-[ethoxy(propylsulfanylmethylsulfanyl)phosphoryl]sulfanyl-2-methylpropane?
The canonical SMILES for 1-[ethoxy(propylsulfanylmethylsulfanyl)phosphoryl]sulfanyl-2-methylpropane is CCCSCSP(=O)(OCC)SCC(C)C.
What is the InChIKey of 1-[ethoxy(propylsulfanylmethylsulfanyl)phosphoryl]sulfanyl-2-methylpropane?
The InChIKey is ZACYQYLRUOFNGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23O2PS3/c1-5-7-14-9-16-13(11,12-6-2)15-8-10(3)4/h10H,5-9H2,1-4H3.
What are the key properties of 1-[ethoxy(propylsulfanylmethylsulfanyl)phosphoryl]sulfanyl-2-methylpropane?
1-[ethoxy(propylsulfanylmethylsulfanyl)phosphoryl]sulfanyl-2-methylpropane has a molecular weight of 302.47 g/mol, XLogP of 5.35, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[ethoxy(propylsulfanylmethylsulfanyl)phosphoryl]sulfanyl-2-methylpropane is sourced from PubChem (CID 88780070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).