ethylsulfanylethane;1H-pyrazole;selane

C7H16N2SSe — CID 174961243

IUPACethylsulfanylethane;1H-pyrazole;selane
SMILESCCSCC.[SeH2].c1cn[nH]c1
InChIInChI=1S/C4H10S.C3H4N2.H2Se/c1-3-5-4-2;1-2-4-5-3-1;/h3-4H2,1-2H3;1-3H,(H,4,5);1H2
InChIKeyQYXNMZRVJSHKPS-UHFFFAOYSA-N
MW239.25 g/mol
LogP1.25
Rot. Bonds2

About ethylsulfanylethane;1H-pyrazole;selane

ethylsulfanylethane;1H-pyrazole;selane (PubChem CID 174961243) has the molecular formula C7H16N2SSe and a molecular weight of 239.25 g/mol. Its IUPAC name is ethylsulfanylethane;1H-pyrazole;selane.

Molecular Properties

Compound Nameethylsulfanylethane;1H-pyrazole;selane
PubChem CID174961243
Molecular FormulaC7H16N2SSe
Molecular Weight239.25 g/mol
Exact Mass240.02
IUPAC Nameethylsulfanylethane;1H-pyrazole;selane
SMILESCCSCC.[SeH2].c1cn[nH]c1
InChIInChI=1S/C4H10S.C3H4N2.H2Se/c1-3-5-4-2;1-2-4-5-3-1;/h3-4H2,1-2H3;1-3H,(H,4,5);1H2
InChIKeyQYXNMZRVJSHKPS-UHFFFAOYSA-N
XLogP1.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethylsulfanylethane;1H-pyrazole;selane 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

ethoxyethane;1H-pyrazole
CID 69415908
tetrakis(1H-pyrazole);bis(ruthenium(3+));chloride
CID 46186881
1H-pyrazole;silane
CID 175387409
europium;1H-pyrazole
CID 160679867
2,2-dimethylbutane;ethane;1H-pyrazole
CID 91588936
lithium;hydride;1H-pyrazole
CID 173266109
CID 158385826
CID 158385826
acetonitrile;dichloromethane;1H-pyrazole
CID 174826527
acetic acid;guanidine;1H-pyrazole
CID 174478894
oxalic acid;1H-pyrazole
CID 19047607
N-methylidenehydroxylamine;1H-pyrazole
CID 158731780
1H-pyrazole;sulfuric acid
CID 22222819

Frequently Asked Questions

What is the IUPAC name of ethylsulfanylethane;1H-pyrazole;selane?
The IUPAC name of ethylsulfanylethane;1H-pyrazole;selane (CID 174961243) is ethylsulfanylethane;1H-pyrazole;selane.
What is the SMILES notation for ethylsulfanylethane;1H-pyrazole;selane?
The canonical SMILES for ethylsulfanylethane;1H-pyrazole;selane is CCSCC.[SeH2].c1cn[nH]c1.
What is the InChIKey of ethylsulfanylethane;1H-pyrazole;selane?
The InChIKey is QYXNMZRVJSHKPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10S.C3H4N2.H2Se/c1-3-5-4-2;1-2-4-5-3-1;/h3-4H2,1-2H3;1-3H,(H,4,5);1H2.
What are the key properties of ethylsulfanylethane;1H-pyrazole;selane?
ethylsulfanylethane;1H-pyrazole;selane has a molecular weight of 239.25 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylethane;1H-pyrazole;selane is sourced from PubChem (CID 174961243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).