acetic acid;ethanethiohydrazide

C4H10N2O2S — CID 91207605

IUPACacetic acid;ethanethiohydrazide
SMILESCC(=O)O.CC(=S)NN
InChIInChI=1S/C2H6N2S.C2H4O2/c1-2(5)4-3;1-2(3)4/h3H2,1H3,(H,4,5);1H3,(H,3,4)
InChIKeyXRAKULRKDUFORQ-UHFFFAOYSA-N
MW150.20 g/mol
LogP-0.11
Rot. Bonds

About acetic acid;ethanethiohydrazide

acetic acid;ethanethiohydrazide (PubChem CID 91207605) has the molecular formula C4H10N2O2S and a molecular weight of 150.20 g/mol. Its IUPAC name is acetic acid;ethanethiohydrazide.

Molecular Properties

Compound Nameacetic acid;ethanethiohydrazide
PubChem CID91207605
Molecular FormulaC4H10N2O2S
Molecular Weight150.20 g/mol
Exact Mass150.05
IUPAC Nameacetic acid;ethanethiohydrazide
SMILESCC(=O)O.CC(=S)NN
InChIInChI=1S/C2H6N2S.C2H4O2/c1-2(5)4-3;1-2(3)4/h3H2,1H3,(H,4,5);1H3,(H,3,4)
InChIKeyXRAKULRKDUFORQ-UHFFFAOYSA-N
XLogP-0.11
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.20
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Related Compounds

2-sulfanylidenepropanehydrazide
CID 175361309
acetohydrazide
CID 169432654
acetic acid;methanol;titanium
CID 87908067
acetic acid;titanium;hydrate
CID 155783844
acetic acid
CID 158444727
acetic acid;hydroxylamine;hydrate
CID 162278428
CID 160895097
CID 160895097
acetic acid;stibane
CID 173054099
acetic acid;methanol
CID 173388753
acetic acid;ethane
CID 173226324
acetic acid;cobalt
CID 54602348
acetic acid;ethane
CID 173070051

Frequently Asked Questions

What is the IUPAC name of acetic acid;ethanethiohydrazide?
The IUPAC name of acetic acid;ethanethiohydrazide (CID 91207605) is acetic acid;ethanethiohydrazide.
What is the SMILES notation for acetic acid;ethanethiohydrazide?
The canonical SMILES for acetic acid;ethanethiohydrazide is CC(=O)O.CC(=S)NN.
What is the InChIKey of acetic acid;ethanethiohydrazide?
The InChIKey is XRAKULRKDUFORQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6N2S.C2H4O2/c1-2(5)4-3;1-2(3)4/h3H2,1H3,(H,4,5);1H3,(H,3,4).
What are the key properties of acetic acid;ethanethiohydrazide?
acetic acid;ethanethiohydrazide has a molecular weight of 150.20 g/mol, XLogP of -0.11, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;ethanethiohydrazide is sourced from PubChem (CID 91207605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).