methyl-(2-sulfanylethyl)-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyl]sulfanium

C9H21S5+ — CID 172790790

IUPACmethyl-(2-sulfanylethyl)-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyl]sulfanium
SMILESC[S+](CCS)CCSCCSCCS
InChIInChI=1S/C9H20S5/c1-14(8-3-11)9-7-13-6-5-12-4-2-10/h2-9H2,1H3,(H-,10,11)/p+1
InChIKeyPNSDNRHJNIQBAM-UHFFFAOYSA-O
MW289.60 g/mol
LogP2.56
Rot. Bonds10

About methyl-(2-sulfanylethyl)-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyl]sulfanium

methyl-(2-sulfanylethyl)-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyl]sulfanium (PubChem CID 172790790) has the molecular formula C9H21S5+ and a molecular weight of 289.60 g/mol. Its IUPAC name is methyl-(2-sulfanylethyl)-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyl]sulfanium.

Molecular Properties

Compound Namemethyl-(2-sulfanylethyl)-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyl]sulfanium
PubChem CID172790790
Molecular FormulaC9H21S5+
Molecular Weight289.60 g/mol
Exact Mass289.02
IUPAC Namemethyl-(2-sulfanylethyl)-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyl]sulfanium
SMILESC[S+](CCS)CCSCCSCCS
InChIInChI=1S/C9H20S5/c1-14(8-3-11)9-7-13-6-5-12-4-2-10/h2-9H2,1H3,(H-,10,11)/p+1
InChIKeyPNSDNRHJNIQBAM-UHFFFAOYSA-O
XLogP2.56
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-sulfanylethylsulfanyl)ethanethiol
CID 89313137
3-[2-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethylsulfanyl]propane-1-thiol
CID 139816250
2-(2-sulfanylethyldisulfanyl)ethanethiol;2-(2-sulfanylethylsulfanyl)ethanethiol
CID 158899446
2-butylsulfanylethanethiol
CID 3613970
2-(2-aminoethylsulfanyl)ethanethiol
CID 12539289
2-dodecylsulfanylethanethiol
CID 19846581
2-sulfanylethanol;2-(2-sulfanylethylsulfanyl)ethanol
CID 159661309
2-[2-[[4,6-bis[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]-1,3,5-trithian-2-yl]sulfanyl]ethylsulfanyl]ethanethiol
CID 87499184
2-(2-trimethoxysilylethylsulfanyl)ethanethiol
CID 57057435
tris(2-dodecylsulfanylethanethiol);stibane
CID 173397568
1-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]propane-1,2,2-trithiol
CID 150355710
2-(2,2-dimethylpropylsulfanyl)ethanethiol
CID 146651624

Frequently Asked Questions

What is the IUPAC name of methyl-(2-sulfanylethyl)-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyl]sulfanium?
The IUPAC name of methyl-(2-sulfanylethyl)-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyl]sulfanium (CID 172790790) is methyl-(2-sulfanylethyl)-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyl]sulfanium.
What is the SMILES notation for methyl-(2-sulfanylethyl)-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyl]sulfanium?
The canonical SMILES for methyl-(2-sulfanylethyl)-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyl]sulfanium is C[S+](CCS)CCSCCSCCS.
What is the InChIKey of methyl-(2-sulfanylethyl)-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyl]sulfanium?
The InChIKey is PNSDNRHJNIQBAM-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H20S5/c1-14(8-3-11)9-7-13-6-5-12-4-2-10/h2-9H2,1H3,(H-,10,11)/p+1.
What are the key properties of methyl-(2-sulfanylethyl)-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyl]sulfanium?
methyl-(2-sulfanylethyl)-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyl]sulfanium has a molecular weight of 289.60 g/mol, XLogP of 2.56, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(2-sulfanylethyl)-[2-[2-(2-sulfanylethylsulfanyl)ethylsulfanyl]ethyl]sulfanium is sourced from PubChem (CID 172790790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).