dicyclohexyl-(10-dicyclohexylphosphinothioylsulfanyldecylsulfanyl)-sulfanylidene-λ5-phosphane

C34H64P2S4 — CID 21391614

IUPACdicyclohexyl-(10-dicyclohexylphosphinothioylsulfanyldecylsulfanyl)-sulfanylidene-λ5-phosphane
SMILESS=P(SCCCCCCCCCCSP(=S)(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C34H64P2S4/c37-35(31-21-11-7-12-22-31,32-23-13-8-14-24-32)39-29-19-5-3-1-2-4-6-20-30-40-36(38,33-25-15-9-16-26-33)34-27-17-10-18-28-34/h31-34H,1-30H2
InChIKeyWIYSDYMRFHIRIR-UHFFFAOYSA-N
MW663.10 g/mol
LogP13.69
Rot. Bonds17

About dicyclohexyl-(10-dicyclohexylphosphinothioylsulfanyldecylsulfanyl)-sulfanylidene-λ5-phosphane

dicyclohexyl-(10-dicyclohexylphosphinothioylsulfanyldecylsulfanyl)-sulfanylidene-λ5-phosphane (PubChem CID 21391614) has the molecular formula C34H64P2S4 and a molecular weight of 663.10 g/mol. Its IUPAC name is dicyclohexyl-(10-dicyclohexylphosphinothioylsulfanyldecylsulfanyl)-sulfanylidene-λ5-phosphane.

Molecular Properties

Compound Namedicyclohexyl-(10-dicyclohexylphosphinothioylsulfanyldecylsulfanyl)-sulfanylidene-λ5-phosphane
PubChem CID21391614
Molecular FormulaC34H64P2S4
Molecular Weight663.10 g/mol
Exact Mass662.34
IUPAC Namedicyclohexyl-(10-dicyclohexylphosphinothioylsulfanyldecylsulfanyl)-sulfanylidene-λ5-phosphane
SMILESS=P(SCCCCCCCCCCSP(=S)(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C34H64P2S4/c37-35(31-21-11-7-12-22-31,32-23-13-8-14-24-32)39-29-19-5-3-1-2-4-6-20-30-40-36(38,33-25-15-9-16-26-33)34-27-17-10-18-28-34/h31-34H,1-30H2
InChIKeyWIYSDYMRFHIRIR-UHFFFAOYSA-N
XLogP13.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500663.10
LogP ≤ 513.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyloxy-decylsulfanyl-hydroxy-sulfanylidene-λ5-phosphane
CID 21217479
butylsulfanyl-cyclohexyl-phenyl-sulfanylidene-λ5-phosphane
CID 21391655
dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane
CID 14249029
[cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane
CID 88546870
octadecylsulfanylcyclohexane
CID 19905552
nonylsulfanylcyclohexane
CID 14783593
octylsulfanylcycloheptane
CID 70441156
4-cyclopentylsulfanylbutylcyclohexane
CID 166876446
[ethoxy(2-nonylsulfanylethoxy)phosphoryl]cyclohexane
CID 71395209
bis(dicyclohexyl-sulfanylidene-sulfido-λ5-phosphane);ethenylsulfanylethene
CID 21391618
cyclohexyl-ethylsulfanyl-phenoxy-sulfanylidene-λ5-phosphane
CID 165353283
dicyclopentylphosphorylcyclohexane
CID 177406372

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-(10-dicyclohexylphosphinothioylsulfanyldecylsulfanyl)-sulfanylidene-λ5-phosphane?
The IUPAC name of dicyclohexyl-(10-dicyclohexylphosphinothioylsulfanyldecylsulfanyl)-sulfanylidene-λ5-phosphane (CID 21391614) is dicyclohexyl-(10-dicyclohexylphosphinothioylsulfanyldecylsulfanyl)-sulfanylidene-λ5-phosphane.
What is the SMILES notation for dicyclohexyl-(10-dicyclohexylphosphinothioylsulfanyldecylsulfanyl)-sulfanylidene-λ5-phosphane?
The canonical SMILES for dicyclohexyl-(10-dicyclohexylphosphinothioylsulfanyldecylsulfanyl)-sulfanylidene-λ5-phosphane is S=P(SCCCCCCCCCCSP(=S)(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-(10-dicyclohexylphosphinothioylsulfanyldecylsulfanyl)-sulfanylidene-λ5-phosphane?
The InChIKey is WIYSDYMRFHIRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H64P2S4/c37-35(31-21-11-7-12-22-31,32-23-13-8-14-24-32)39-29-19-5-3-1-2-4-6-20-30-40-36(38,33-25-15-9-16-26-33)34-27-17-10-18-28-34/h31-34H,1-30H2.
What are the key properties of dicyclohexyl-(10-dicyclohexylphosphinothioylsulfanyldecylsulfanyl)-sulfanylidene-λ5-phosphane?
dicyclohexyl-(10-dicyclohexylphosphinothioylsulfanyldecylsulfanyl)-sulfanylidene-λ5-phosphane has a molecular weight of 663.10 g/mol, XLogP of 13.69, 17 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-(10-dicyclohexylphosphinothioylsulfanyldecylsulfanyl)-sulfanylidene-λ5-phosphane is sourced from PubChem (CID 21391614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).