2-methylsulfanylacetohydrazide

C3H8N2OS — CID 12674107

IUPAC2-methylsulfanylacetohydrazide
SMILESCSCC(=O)NN
InChIInChI=1S/C3H8N2OS/c1-7-2-3(6)5-4/h2,4H2,1H3,(H,5,6)
InChIKeyMUTXMAOCENBWSX-UHFFFAOYSA-N
MW120.18 g/mol
LogP-0.66
Rot. Bonds2

About 2-methylsulfanylacetohydrazide

2-methylsulfanylacetohydrazide (PubChem CID 12674107) has the molecular formula C3H8N2OS and a molecular weight of 120.18 g/mol. Its IUPAC name is 2-methylsulfanylacetohydrazide.

Molecular Properties

Compound Name2-methylsulfanylacetohydrazide
PubChem CID12674107
Molecular FormulaC3H8N2OS
Molecular Weight120.18 g/mol
Exact Mass120.04
IUPAC Name2-methylsulfanylacetohydrazide
SMILESCSCC(=O)NN
InChIInChI=1S/C3H8N2OS/c1-7-2-3(6)5-4/h2,4H2,1H3,(H,5,6)
InChIKeyMUTXMAOCENBWSX-UHFFFAOYSA-N
XLogP-0.66
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.18
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanylacetohydrazide?
The IUPAC name of 2-methylsulfanylacetohydrazide (CID 12674107) is 2-methylsulfanylacetohydrazide.
What is the SMILES notation for 2-methylsulfanylacetohydrazide?
The canonical SMILES for 2-methylsulfanylacetohydrazide is CSCC(=O)NN.
What is the InChIKey of 2-methylsulfanylacetohydrazide?
The InChIKey is MUTXMAOCENBWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2OS/c1-7-2-3(6)5-4/h2,4H2,1H3,(H,5,6).
What are the key properties of 2-methylsulfanylacetohydrazide?
2-methylsulfanylacetohydrazide has a molecular weight of 120.18 g/mol, XLogP of -0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanylacetohydrazide is sourced from PubChem (CID 12674107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).