ethane;ethanethiohydrazide

C4H12N2S — CID 177060037

IUPACethane;ethanethiohydrazide
SMILESCC.CC(=S)NN
InChIInChI=1S/C2H6N2S.C2H6/c1-2(5)4-3;1-2/h3H2,1H3,(H,4,5);1-2H3
InChIKeyQQLYDGOTSVHAFD-UHFFFAOYSA-N
MW120.22 g/mol
LogP0.82
Rot. Bonds

About ethane;ethanethiohydrazide

ethane;ethanethiohydrazide (PubChem CID 177060037) has the molecular formula C4H12N2S and a molecular weight of 120.22 g/mol. Its IUPAC name is ethane;ethanethiohydrazide.

Molecular Properties

Compound Nameethane;ethanethiohydrazide
PubChem CID177060037
Molecular FormulaC4H12N2S
Molecular Weight120.22 g/mol
Exact Mass120.07
IUPAC Nameethane;ethanethiohydrazide
SMILESCC.CC(=S)NN
InChIInChI=1S/C2H6N2S.C2H6/c1-2(5)4-3;1-2/h3H2,1H3,(H,4,5);1-2H3
InChIKeyQQLYDGOTSVHAFD-UHFFFAOYSA-N
XLogP0.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.22
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;ethanethiohydrazide?
The IUPAC name of ethane;ethanethiohydrazide (CID 177060037) is ethane;ethanethiohydrazide.
What is the SMILES notation for ethane;ethanethiohydrazide?
The canonical SMILES for ethane;ethanethiohydrazide is CC.CC(=S)NN.
What is the InChIKey of ethane;ethanethiohydrazide?
The InChIKey is QQLYDGOTSVHAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2S.C2H6/c1-2(5)4-3;1-2/h3H2,1H3,(H,4,5);1-2H3.
What are the key properties of ethane;ethanethiohydrazide?
ethane;ethanethiohydrazide has a molecular weight of 120.22 g/mol, XLogP of 0.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanethiohydrazide is sourced from PubChem (CID 177060037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).