3-methylsulfanylpropanehydrazide

C4H10N2OS — CID 22151621

IUPAC3-methylsulfanylpropanehydrazide
SMILESCSCCC(=O)NN
InChIInChI=1S/C4H10N2OS/c1-8-3-2-4(7)6-5/h2-3,5H2,1H3,(H,6,7)
InChIKeyLTLINECQILTSQZ-UHFFFAOYSA-N
MW134.20 g/mol
LogP-0.27
Rot. Bonds3

About 3-methylsulfanylpropanehydrazide

3-methylsulfanylpropanehydrazide (PubChem CID 22151621) has the molecular formula C4H10N2OS and a molecular weight of 134.20 g/mol. Its IUPAC name is 3-methylsulfanylpropanehydrazide.

Molecular Properties

Compound Name3-methylsulfanylpropanehydrazide
PubChem CID22151621
Molecular FormulaC4H10N2OS
Molecular Weight134.20 g/mol
Exact Mass134.05
IUPAC Name3-methylsulfanylpropanehydrazide
SMILESCSCCC(=O)NN
InChIInChI=1S/C4H10N2OS/c1-8-3-2-4(7)6-5/h2-3,5H2,1H3,(H,6,7)
InChIKeyLTLINECQILTSQZ-UHFFFAOYSA-N
XLogP-0.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
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'}

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Related Compounds

3,3'-Thiobis(propanoic acid) 1,1'-dihydrazide
CID 80513
Mercaptopropionylhydrazide
CID 193318
2-(Methylsulfanyl)acetohydrazide
CID 12674107
2,2'-Sulfanediyldipropanehydrazide
CID 229973
2-(Ethylsulfanyl)acetohydrazide
CID 1712813
2-(Trifluoromethylsulfanyl)propanehydrazide
CID 130668581
2-(Trifluoromethylsulfanyl)propanehydrazide;hydrochloride
CID 131089591
2,2-Difluoro-3-(methylsulfanyl)propanehydrazide
CID 165462078
3-(Ethylsulfanyl)-2,2-difluoropropanehydrazide
CID 165466723
2,2-Difluoro-3-(propan-2-ylsulfanyl)propanehydrazide
CID 165466724
3-(Butylsulfanyl)-2,2-difluoropropanehydrazide
CID 165466725
3-(Butan-2-ylsulfanyl)-2,2-difluoropropanehydrazide
CID 165466726

Frequently Asked Questions

What is the IUPAC name of 3-methylsulfanylpropanehydrazide?
The IUPAC name of 3-methylsulfanylpropanehydrazide (CID 22151621) is 3-methylsulfanylpropanehydrazide.
What is the SMILES notation for 3-methylsulfanylpropanehydrazide?
The canonical SMILES for 3-methylsulfanylpropanehydrazide is CSCCC(=O)NN.
What is the InChIKey of 3-methylsulfanylpropanehydrazide?
The InChIKey is LTLINECQILTSQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2OS/c1-8-3-2-4(7)6-5/h2-3,5H2,1H3,(H,6,7).
What are the key properties of 3-methylsulfanylpropanehydrazide?
3-methylsulfanylpropanehydrazide has a molecular weight of 134.20 g/mol, XLogP of -0.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylsulfanylpropanehydrazide is sourced from PubChem (CID 22151621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).