2-(2-methyl-1,3-dithian-2-yl)acetohydrazide

C7H14N2OS2 — CID 134121241

IUPAC2-(2-methyl-1,3-dithian-2-yl)acetohydrazide
SMILESCC1(CC(=O)NN)SCCCS1
InChIInChI=1S/C7H14N2OS2/c1-7(5-6(10)9-8)11-3-2-4-12-7/h2-5,8H2,1H3,(H,9,10)
InChIKeyGCPAZSJMBUZNAY-UHFFFAOYSA-N
MW206.34 g/mol
LogP0.95
Rot. Bonds2

About 2-(2-methyl-1,3-dithian-2-yl)acetohydrazide

2-(2-methyl-1,3-dithian-2-yl)acetohydrazide (PubChem CID 134121241) has the molecular formula C7H14N2OS2 and a molecular weight of 206.34 g/mol. Its IUPAC name is 2-(2-methyl-1,3-dithian-2-yl)acetohydrazide.

Molecular Properties

Compound Name2-(2-methyl-1,3-dithian-2-yl)acetohydrazide
PubChem CID134121241
Molecular FormulaC7H14N2OS2
Molecular Weight206.34 g/mol
Exact Mass206.05
IUPAC Name2-(2-methyl-1,3-dithian-2-yl)acetohydrazide
SMILESCC1(CC(=O)NN)SCCCS1
InChIInChI=1S/C7H14N2OS2/c1-7(5-6(10)9-8)11-3-2-4-12-7/h2-5,8H2,1H3,(H,9,10)
InChIKeyGCPAZSJMBUZNAY-UHFFFAOYSA-N
XLogP0.95
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.34
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-Ethylsulfanylpropanehydrazide
CID 19905630
3-Butylsulfanylpropanehydrazide
CID 19905640
4-Methylsulfanylbutanehydrazide
CID 23162552
3-Propylsulfanylpropanehydrazide
CID 63581367
2-Propylsulfanylpropanehydrazide
CID 63581368
S-(3-hydrazinyl-3-oxopropyl) ethanethioate
CID 123838580
3-(Methylsulfanylmethylsulfanyl)propanehydrazide
CID 152203945
Bis(methylsulfanyl)methane;3-methylsulfanylpropanehydrazide
CID 159875793
1,4-Dithiane-2-carbohydrazide
CID 14961290
1,3-Dithiane-2-carbohydrazide
CID 55207197
2-Butylsulfanylpropanehydrazide
CID 61067374
4-Butan-2-ylsulfanylbutanehydrazide
CID 63580088

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-1,3-dithian-2-yl)acetohydrazide?
The IUPAC name of 2-(2-methyl-1,3-dithian-2-yl)acetohydrazide (CID 134121241) is 2-(2-methyl-1,3-dithian-2-yl)acetohydrazide.
What is the SMILES notation for 2-(2-methyl-1,3-dithian-2-yl)acetohydrazide?
The canonical SMILES for 2-(2-methyl-1,3-dithian-2-yl)acetohydrazide is CC1(CC(=O)NN)SCCCS1.
What is the InChIKey of 2-(2-methyl-1,3-dithian-2-yl)acetohydrazide?
The InChIKey is GCPAZSJMBUZNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2OS2/c1-7(5-6(10)9-8)11-3-2-4-12-7/h2-5,8H2,1H3,(H,9,10).
What are the key properties of 2-(2-methyl-1,3-dithian-2-yl)acetohydrazide?
2-(2-methyl-1,3-dithian-2-yl)acetohydrazide has a molecular weight of 206.34 g/mol, XLogP of 0.95, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-1,3-dithian-2-yl)acetohydrazide is sourced from PubChem (CID 134121241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).