bis(dicyclohexyl-sulfanylidene-sulfido-λ5-phosphane);ethenylsulfanylethene

C28H50P2S5-2 — CID 21391618

IUPACbis(dicyclohexyl-sulfanylidene-sulfido-λ5-phosphane);ethenylsulfanylethene
SMILESC=CSC=C.S=P([S-])(C1CCCCC1)C1CCCCC1.S=P([S-])(C1CCCCC1)C1CCCCC1
InChIInChI=1S/2C12H23PS2.C4H6S/c2*14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-5-4-2/h2*11-12H,1-10H2,(H,14,15);3-4H,1-2H2/p-2
InChIKeyUFGZAHICRWNXMH-UHFFFAOYSA-L
MW608.99 g/mol
LogP11.19
Rot. Bonds6

About bis(dicyclohexyl-sulfanylidene-sulfido-λ5-phosphane);ethenylsulfanylethene

bis(dicyclohexyl-sulfanylidene-sulfido-λ5-phosphane);ethenylsulfanylethene (PubChem CID 21391618) has the molecular formula C28H50P2S5-2 and a molecular weight of 608.99 g/mol. Its IUPAC name is bis(dicyclohexyl-sulfanylidene-sulfido-λ5-phosphane);ethenylsulfanylethene.

Molecular Properties

Compound Namebis(dicyclohexyl-sulfanylidene-sulfido-λ5-phosphane);ethenylsulfanylethene
PubChem CID21391618
Molecular FormulaC28H50P2S5-2
Molecular Weight608.99 g/mol
Exact Mass608.20
IUPAC Namebis(dicyclohexyl-sulfanylidene-sulfido-λ5-phosphane);ethenylsulfanylethene
SMILESC=CSC=C.S=P([S-])(C1CCCCC1)C1CCCCC1.S=P([S-])(C1CCCCC1)C1CCCCC1
InChIInChI=1S/2C12H23PS2.C4H6S/c2*14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-5-4-2/h2*11-12H,1-10H2,(H,14,15);3-4H,1-2H2/p-2
InChIKeyUFGZAHICRWNXMH-UHFFFAOYSA-L
XLogP11.19
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.99
LogP ≤ 511.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane
CID 14249029
[cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane
CID 88546870
dicyclohexyloxy-sulfanylidene-sulfido-lambda5-phosphane
CID 1415318
dicyclohexyl-(10-dicyclohexylphosphinothioylsulfanyldecylsulfanyl)-sulfanylidene-λ5-phosphane
CID 21391614
ethenylsulfanylcyclopentane
CID 20601505
ethenylcyclononane
CID 123465789
ethenylcyclotetradecane
CID 123915888
dicyclopentylphosphorylcyclohexane
CID 177406372
cyclohexyl-methyl-morpholin-4-yl-sulfanylidene-lambda5-phosphane
CID 559825
1,1-difluoroprop-2-enylcyclohexane
CID 67843312
2-ethenylcycloheptan-1-ol
CID 101076742
N-[(cyclohexylamino)-methylphosphinothioyl]cyclohexanamine
CID 23412980

Frequently Asked Questions

What is the IUPAC name of bis(dicyclohexyl-sulfanylidene-sulfido-λ5-phosphane);ethenylsulfanylethene?
The IUPAC name of bis(dicyclohexyl-sulfanylidene-sulfido-λ5-phosphane);ethenylsulfanylethene (CID 21391618) is bis(dicyclohexyl-sulfanylidene-sulfido-λ5-phosphane);ethenylsulfanylethene.
What is the SMILES notation for bis(dicyclohexyl-sulfanylidene-sulfido-λ5-phosphane);ethenylsulfanylethene?
The canonical SMILES for bis(dicyclohexyl-sulfanylidene-sulfido-λ5-phosphane);ethenylsulfanylethene is C=CSC=C.S=P([S-])(C1CCCCC1)C1CCCCC1.S=P([S-])(C1CCCCC1)C1CCCCC1.
What is the InChIKey of bis(dicyclohexyl-sulfanylidene-sulfido-λ5-phosphane);ethenylsulfanylethene?
The InChIKey is UFGZAHICRWNXMH-UHFFFAOYSA-L. The full InChI is InChI=1S/2C12H23PS2.C4H6S/c2*14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-3-5-4-2/h2*11-12H,1-10H2,(H,14,15);3-4H,1-2H2/p-2.
What are the key properties of bis(dicyclohexyl-sulfanylidene-sulfido-λ5-phosphane);ethenylsulfanylethene?
bis(dicyclohexyl-sulfanylidene-sulfido-λ5-phosphane);ethenylsulfanylethene has a molecular weight of 608.99 g/mol, XLogP of 11.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dicyclohexyl-sulfanylidene-sulfido-λ5-phosphane);ethenylsulfanylethene is sourced from PubChem (CID 21391618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).