2-cyanoethylsulfanyl(methyl)mercury

C4H7HgNS — CID 165357921

IUPAC2-cyanoethylsulfanyl(methyl)mercury
SMILESC[Hg]SCCC#N
InChIInChI=1S/C3H5NS.CH3.Hg/c4-2-1-3-5;;/h5H,1,3H2;1H3;/q;;+1/p-1
InChIKeyYIBPCZBQNTYXLL-UHFFFAOYSA-M
MW301.76 g/mol
LogP1.68
Rot. Bonds3

About 2-cyanoethylsulfanyl(methyl)mercury

2-cyanoethylsulfanyl(methyl)mercury (PubChem CID 165357921) has the molecular formula C4H7HgNS and a molecular weight of 301.76 g/mol. Its IUPAC name is 2-cyanoethylsulfanyl(methyl)mercury.

Molecular Properties

Compound Name2-cyanoethylsulfanyl(methyl)mercury
PubChem CID165357921
Molecular FormulaC4H7HgNS
Molecular Weight301.76 g/mol
Exact Mass303.00
IUPAC Name2-cyanoethylsulfanyl(methyl)mercury
SMILESC[Hg]SCCC#N
InChIInChI=1S/C3H5NS.CH3.Hg/c4-2-1-3-5;;/h5H,1,3H2;1H3;/q;;+1/p-1
InChIKeyYIBPCZBQNTYXLL-UHFFFAOYSA-M
XLogP1.68
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.76
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-cyanoethylsulfanyl(methyl)mercury with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;3-ethylsulfanylpropanenitrile
CID 142187539
3-(methoxymethylsulfanyl)propanenitrile
CID 82531419
3-ethylphosphanylsulfanylpropanenitrile
CID 167244940
3-[2-(2-cyanoethylsulfanyl)-1,2-bis(sulfanyl)ethenyl]sulfanylpropanenitrile
CID 72543029
3-(2-cyanoethylsulfanyl)propanenitrile;thiourea
CID 161135172
3-dimethoxyphosphorylsulfanylpropanenitrile
CID 23553412
alumane;butanenitrile
CID 174728323
butanenitrile;ethane
CID 91457061
3-(2,4,6-trimethylphenyl)sulfanylpropanenitrile
CID 117033966
3-cyanopropylsulfanyl sulfate
CID 23326238
lithium 2-cyanoethanesulfonate
CID 155666009
4-(3-cyanopropylsulfonyl)butanenitrile
CID 118286129

Frequently Asked Questions

What is the IUPAC name of 2-cyanoethylsulfanyl(methyl)mercury?
The IUPAC name of 2-cyanoethylsulfanyl(methyl)mercury (CID 165357921) is 2-cyanoethylsulfanyl(methyl)mercury.
What is the SMILES notation for 2-cyanoethylsulfanyl(methyl)mercury?
The canonical SMILES for 2-cyanoethylsulfanyl(methyl)mercury is C[Hg]SCCC#N.
What is the InChIKey of 2-cyanoethylsulfanyl(methyl)mercury?
The InChIKey is YIBPCZBQNTYXLL-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5NS.CH3.Hg/c4-2-1-3-5;;/h5H,1,3H2;1H3;/q;;+1/p-1.
What are the key properties of 2-cyanoethylsulfanyl(methyl)mercury?
2-cyanoethylsulfanyl(methyl)mercury has a molecular weight of 301.76 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyanoethylsulfanyl(methyl)mercury is sourced from PubChem (CID 165357921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).