N',2-dimethylpropanethiohydrazide

C5H12N2S — CID 144948313

IUPACN',2-dimethylpropanethiohydrazide
SMILESCNNC(=S)C(C)C
InChIInChI=1S/C5H12N2S/c1-4(2)5(8)7-6-3/h4,6H,1-3H3,(H,7,8)
InChIKeyFRZYXDLNORCGPA-UHFFFAOYSA-N
MW132.23 g/mol
LogP0.69
Rot. Bonds2

About N',2-dimethylpropanethiohydrazide

N',2-dimethylpropanethiohydrazide (PubChem CID 144948313) has the molecular formula C5H12N2S and a molecular weight of 132.23 g/mol. Its IUPAC name is N',2-dimethylpropanethiohydrazide.

Molecular Properties

Compound NameN',2-dimethylpropanethiohydrazide
PubChem CID144948313
Molecular FormulaC5H12N2S
Molecular Weight132.23 g/mol
Exact Mass132.07
IUPAC NameN',2-dimethylpropanethiohydrazide
SMILESCNNC(=S)C(C)C
InChIInChI=1S/C5H12N2S/c1-4(2)5(8)7-6-3/h4,6H,1-3H3,(H,7,8)
InChIKeyFRZYXDLNORCGPA-UHFFFAOYSA-N
XLogP0.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.23
LogP ≤ 50.69
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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Related Compounds

2-Methylpropanethiohydrazide
CID 14804494
N'-methylethanethiohydrazide
CID 18336662
(2-Methylpropylamino)thiourea
CID 55290300
N'-butylethanethiohydrazide
CID 57097174
N'-methylpropanethiohydrazide
CID 88274201
3-Methylbutanethiohydrazide
CID 89679379
N'-ethylethanethiohydrazide
CID 156242480
N'-ethyl-2,2-dimethylpropanethiohydrazide
CID 178524265

Frequently Asked Questions

What is the IUPAC name of N',2-dimethylpropanethiohydrazide?
The IUPAC name of N',2-dimethylpropanethiohydrazide (CID 144948313) is N',2-dimethylpropanethiohydrazide.
What is the SMILES notation for N',2-dimethylpropanethiohydrazide?
The canonical SMILES for N',2-dimethylpropanethiohydrazide is CNNC(=S)C(C)C.
What is the InChIKey of N',2-dimethylpropanethiohydrazide?
The InChIKey is FRZYXDLNORCGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S/c1-4(2)5(8)7-6-3/h4,6H,1-3H3,(H,7,8).
What are the key properties of N',2-dimethylpropanethiohydrazide?
N',2-dimethylpropanethiohydrazide has a molecular weight of 132.23 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethylpropanethiohydrazide is sourced from PubChem (CID 144948313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).