2-methyl-3-sulfanylbutanehydrazide

C5H12N2OS — CID 79415259

IUPAC2-methyl-3-sulfanylbutanehydrazide
SMILESCC(S)C(C)C(=O)NN
InChIInChI=1S/C5H12N2OS/c1-3(4(2)9)5(8)7-6/h3-4,9H,6H2,1-2H3,(H,7,8)
InChIKeyYTJFNKLWKWTMEO-UHFFFAOYSA-N
MW148.23 g/mol
LogP-0.07
Rot. Bonds2

About 2-methyl-3-sulfanylbutanehydrazide

2-methyl-3-sulfanylbutanehydrazide (PubChem CID 79415259) has the molecular formula C5H12N2OS and a molecular weight of 148.23 g/mol. Its IUPAC name is 2-methyl-3-sulfanylbutanehydrazide.

Molecular Properties

Compound Name2-methyl-3-sulfanylbutanehydrazide
PubChem CID79415259
Molecular FormulaC5H12N2OS
Molecular Weight148.23 g/mol
Exact Mass148.07
IUPAC Name2-methyl-3-sulfanylbutanehydrazide
SMILESCC(S)C(C)C(=O)NN
InChIInChI=1S/C5H12N2OS/c1-3(4(2)9)5(8)7-6/h3-4,9H,6H2,1-2H3,(H,7,8)
InChIKeyYTJFNKLWKWTMEO-UHFFFAOYSA-N
XLogP-0.07
TPSA55.12 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 5-0.07
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 2-methyl-3-sulfanylbutanehydrazide?
The IUPAC name of 2-methyl-3-sulfanylbutanehydrazide (CID 79415259) is 2-methyl-3-sulfanylbutanehydrazide.
What is the SMILES notation for 2-methyl-3-sulfanylbutanehydrazide?
The canonical SMILES for 2-methyl-3-sulfanylbutanehydrazide is CC(S)C(C)C(=O)NN.
What is the InChIKey of 2-methyl-3-sulfanylbutanehydrazide?
The InChIKey is YTJFNKLWKWTMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2OS/c1-3(4(2)9)5(8)7-6/h3-4,9H,6H2,1-2H3,(H,7,8).
What are the key properties of 2-methyl-3-sulfanylbutanehydrazide?
2-methyl-3-sulfanylbutanehydrazide has a molecular weight of 148.23 g/mol, XLogP of -0.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-sulfanylbutanehydrazide is sourced from PubChem (CID 79415259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).