azanylidyne-iodo-methyl-propylsulfanyl-λ6-sulfane

C4H10INS2 — CID 89364772

IUPACazanylidyne-iodo-methyl-propylsulfanyl-λ6-sulfane
SMILESCCCSS(C)(#N)I
InChIInChI=1S/C4H10INS2/c1-3-4-7-8(2,5)6/h3-4H2,1-2H3
InChIKeyPDURMGSWKAWSRP-UHFFFAOYSA-N
MW263.17 g/mol
LogP3.31
Rot. Bonds2

About azanylidyne-iodo-methyl-propylsulfanyl-λ6-sulfane

azanylidyne-iodo-methyl-propylsulfanyl-λ6-sulfane (PubChem CID 89364772) has the molecular formula C4H10INS2 and a molecular weight of 263.17 g/mol. Its IUPAC name is azanylidyne-iodo-methyl-propylsulfanyl-λ6-sulfane.

Molecular Properties

Compound Nameazanylidyne-iodo-methyl-propylsulfanyl-λ6-sulfane
PubChem CID89364772
Molecular FormulaC4H10INS2
Molecular Weight263.17 g/mol
Exact Mass262.93
IUPAC Nameazanylidyne-iodo-methyl-propylsulfanyl-λ6-sulfane
SMILESCCCSS(C)(#N)I
InChIInChI=1S/C4H10INS2/c1-3-4-7-8(2,5)6/h3-4H2,1-2H3
InChIKeyPDURMGSWKAWSRP-UHFFFAOYSA-N
XLogP3.31
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-ethylsulfonylsulfanylpropane
CID 171772956
potassium;hydride;1-sulfosulfanylpropane
CID 173418467
ethylsulfanylethane;1-ethylsulfanylpropane
CID 91509545
ethyl-iodo-dimethyl-λ4-sulfane
CID 12539936
lithium 1-[bis(propylsulfanyl)methylsulfanyl]propane
CID 135083944
2-(propyldisulfanyl)ethanol
CID 11977395
butylsulfanyl-ethylsulfanyl-pentyl-propylsulfanyl-λ4-sulfane
CID 141020664
1-methylsulfonylsulfanyldodecane
CID 3666466
1-methylsulfonylsulfanyldecane
CID 5225635
1-(methyldisulfanyl)propane
CID 16592
1-(propylheptasulfanyl)propane
CID 14123249
bis(propylsulfanyl)silane
CID 154016187

Frequently Asked Questions

What is the IUPAC name of azanylidyne-iodo-methyl-propylsulfanyl-λ6-sulfane?
The IUPAC name of azanylidyne-iodo-methyl-propylsulfanyl-λ6-sulfane (CID 89364772) is azanylidyne-iodo-methyl-propylsulfanyl-λ6-sulfane.
What is the SMILES notation for azanylidyne-iodo-methyl-propylsulfanyl-λ6-sulfane?
The canonical SMILES for azanylidyne-iodo-methyl-propylsulfanyl-λ6-sulfane is CCCSS(C)(#N)I.
What is the InChIKey of azanylidyne-iodo-methyl-propylsulfanyl-λ6-sulfane?
The InChIKey is PDURMGSWKAWSRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10INS2/c1-3-4-7-8(2,5)6/h3-4H2,1-2H3.
What are the key properties of azanylidyne-iodo-methyl-propylsulfanyl-λ6-sulfane?
azanylidyne-iodo-methyl-propylsulfanyl-λ6-sulfane has a molecular weight of 263.17 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azanylidyne-iodo-methyl-propylsulfanyl-λ6-sulfane is sourced from PubChem (CID 89364772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).