3-sulfanylbutanehydrazide

C4H10N2OS — CID 19078079

IUPAC3-sulfanylbutanehydrazide
SMILESCC(S)CC(=O)NN
InChIInChI=1S/C4H10N2OS/c1-3(8)2-4(7)6-5/h3,8H,2,5H2,1H3,(H,6,7)
InChIKeyKWFIFZPIHLZALO-UHFFFAOYSA-N
MW134.20 g/mol
LogP-0.32
Rot. Bonds2

About 3-sulfanylbutanehydrazide

3-sulfanylbutanehydrazide (PubChem CID 19078079) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is 3-sulfanylbutanehydrazide.

Molecular Properties

Compound Name3-sulfanylbutanehydrazide
PubChem CID19078079
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC Name3-sulfanylbutanehydrazide
SMILESCC(S)CC(=O)NN
InChIInChI=1S/C4H10N2OS/c1-3(8)2-4(7)6-5/h3,8H,2,5H2,1H3,(H,6,7)
InChIKeyKWFIFZPIHLZALO-UHFFFAOYSA-N
XLogP-0.32
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
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'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-sulfanylbutanehydrazide?
The IUPAC name of 3-sulfanylbutanehydrazide (CID 19078079) is 3-sulfanylbutanehydrazide.
What is the SMILES notation for 3-sulfanylbutanehydrazide?
The canonical SMILES for 3-sulfanylbutanehydrazide is CC(S)CC(=O)NN.
What is the InChIKey of 3-sulfanylbutanehydrazide?
The InChIKey is KWFIFZPIHLZALO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c1-3(8)2-4(7)6-5/h3,8H,2,5H2,1H3,(H,6,7).
What are the key properties of 3-sulfanylbutanehydrazide?
3-sulfanylbutanehydrazide has a molecular weight of 134.20 g/mol, XLogP of -0.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanylbutanehydrazide is sourced from PubChem (CID 19078079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).