2-sulfanylidenepropanehydrazide

C3H6N2OS — CID 175361309

IUPAC2-sulfanylidenepropanehydrazide
SMILESCC(=S)C(=O)NN
InChIInChI=1S/C3H6N2OS/c1-2(7)3(6)5-4/h4H2,1H3,(H,5,6)
InChIKeyNNWQNAIQRILSDE-UHFFFAOYSA-N
MW118.16 g/mol
LogP-0.63
Rot. Bonds1

About 2-sulfanylidenepropanehydrazide

2-sulfanylidenepropanehydrazide (PubChem CID 175361309) has the molecular formula C3H6N2OS and a molecular weight of 118.16 g/mol. Its IUPAC name is 2-sulfanylidenepropanehydrazide.

Molecular Properties

Compound Name2-sulfanylidenepropanehydrazide
PubChem CID175361309
Molecular FormulaC3H6N2OS
Molecular Weight118.16 g/mol
Exact Mass118.02
IUPAC Name2-sulfanylidenepropanehydrazide
SMILESCC(=S)C(=O)NN
InChIInChI=1S/C3H6N2OS/c1-2(7)3(6)5-4/h4H2,1H3,(H,5,6)
InChIKeyNNWQNAIQRILSDE-UHFFFAOYSA-N
XLogP-0.63
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.16
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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

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Frequently Asked Questions

What is the IUPAC name of 2-sulfanylidenepropanehydrazide?
The IUPAC name of 2-sulfanylidenepropanehydrazide (CID 175361309) is 2-sulfanylidenepropanehydrazide.
What is the SMILES notation for 2-sulfanylidenepropanehydrazide?
The canonical SMILES for 2-sulfanylidenepropanehydrazide is CC(=S)C(=O)NN.
What is the InChIKey of 2-sulfanylidenepropanehydrazide?
The InChIKey is NNWQNAIQRILSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2OS/c1-2(7)3(6)5-4/h4H2,1H3,(H,5,6).
What are the key properties of 2-sulfanylidenepropanehydrazide?
2-sulfanylidenepropanehydrazide has a molecular weight of 118.16 g/mol, XLogP of -0.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylidenepropanehydrazide is sourced from PubChem (CID 175361309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).