N'-acetyl-2-methylsulfanylacetohydrazide

C5H10N2O2S — CID 89111938

IUPACN'-acetyl-2-methylsulfanylacetohydrazide
SMILESCSCC(=O)NNC(C)=O
InChIInChI=1S/C5H10N2O2S/c1-4(8)6-7-5(9)3-10-2/h3H2,1-2H3,(H,6,8)(H,7,9)
InChIKeyPHLWYQDEQFVJLR-UHFFFAOYSA-N
MW162.21 g/mol
LogP-0.48
Rot. Bonds2

About N'-acetyl-2-methylsulfanylacetohydrazide

N'-acetyl-2-methylsulfanylacetohydrazide (PubChem CID 89111938) has the molecular formula C5H10N2O2S and a molecular weight of 162.21 g/mol. Its IUPAC name is N'-acetyl-2-methylsulfanylacetohydrazide.

Molecular Properties

Compound NameN'-acetyl-2-methylsulfanylacetohydrazide
PubChem CID89111938
Molecular FormulaC5H10N2O2S
Molecular Weight162.21 g/mol
Exact Mass162.05
IUPAC NameN'-acetyl-2-methylsulfanylacetohydrazide
SMILESCSCC(=O)NNC(C)=O
InChIInChI=1S/C5H10N2O2S/c1-4(8)6-7-5(9)3-10-2/h3H2,1-2H3,(H,6,8)(H,7,9)
InChIKeyPHLWYQDEQFVJLR-UHFFFAOYSA-N
XLogP-0.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-acetyl-2-methylsulfanylacetohydrazide?
The IUPAC name of N'-acetyl-2-methylsulfanylacetohydrazide (CID 89111938) is N'-acetyl-2-methylsulfanylacetohydrazide.
What is the SMILES notation for N'-acetyl-2-methylsulfanylacetohydrazide?
The canonical SMILES for N'-acetyl-2-methylsulfanylacetohydrazide is CSCC(=O)NNC(C)=O.
What is the InChIKey of N'-acetyl-2-methylsulfanylacetohydrazide?
The InChIKey is PHLWYQDEQFVJLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O2S/c1-4(8)6-7-5(9)3-10-2/h3H2,1-2H3,(H,6,8)(H,7,9).
What are the key properties of N'-acetyl-2-methylsulfanylacetohydrazide?
N'-acetyl-2-methylsulfanylacetohydrazide has a molecular weight of 162.21 g/mol, XLogP of -0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-acetyl-2-methylsulfanylacetohydrazide is sourced from PubChem (CID 89111938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).