N'-methylethanethiohydrazide

C3H8N2S — CID 18336662

IUPACN'-methylethanethiohydrazide
SMILESCNNC(C)=S
InChIInChI=1S/C3H8N2S/c1-3(6)5-4-2/h4H,1-2H3,(H,5,6)
InChIKeyGHYWADMOKYUGQT-UHFFFAOYSA-N
MW104.18 g/mol
LogP0.06
Rot. Bonds1

About N'-methylethanethiohydrazide

N'-methylethanethiohydrazide (PubChem CID 18336662) has the molecular formula C3H8N2S and a molecular weight of 104.18 g/mol. Its IUPAC name is N'-methylethanethiohydrazide.

Molecular Properties

Compound NameN'-methylethanethiohydrazide
PubChem CID18336662
Molecular FormulaC3H8N2S
Molecular Weight104.18 g/mol
Exact Mass104.04
IUPAC NameN'-methylethanethiohydrazide
SMILESCNNC(C)=S
InChIInChI=1S/C3H8N2S/c1-3(6)5-4-2/h4H,1-2H3,(H,5,6)
InChIKeyGHYWADMOKYUGQT-UHFFFAOYSA-N
XLogP0.06
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.18
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-methylethanethiohydrazide?
The IUPAC name of N'-methylethanethiohydrazide (CID 18336662) is N'-methylethanethiohydrazide.
What is the SMILES notation for N'-methylethanethiohydrazide?
The canonical SMILES for N'-methylethanethiohydrazide is CNNC(C)=S.
What is the InChIKey of N'-methylethanethiohydrazide?
The InChIKey is GHYWADMOKYUGQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8N2S/c1-3(6)5-4-2/h4H,1-2H3,(H,5,6).
What are the key properties of N'-methylethanethiohydrazide?
N'-methylethanethiohydrazide has a molecular weight of 104.18 g/mol, XLogP of 0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylethanethiohydrazide is sourced from PubChem (CID 18336662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).