[1,4-dithian-2-yl(oxolan-3-yl)methyl]hydrazine

C9H18N2OS2 — CID 105249196

IUPAC[1,4-dithian-2-yl(oxolan-3-yl)methyl]hydrazine
SMILESNNC(C1CCOC1)C1CSCCS1
InChIInChI=1S/C9H18N2OS2/c10-11-9(7-1-2-12-5-7)8-6-13-3-4-14-8/h7-9,11H,1-6,10H2
InChIKeyHEAUQWLPYGNKHU-UHFFFAOYSA-N
MW234.39 g/mol
LogP0.70
Rot. Bonds3

About [1,4-dithian-2-yl(oxolan-3-yl)methyl]hydrazine

[1,4-dithian-2-yl(oxolan-3-yl)methyl]hydrazine (PubChem CID 105249196) has the molecular formula C9H18N2OS2 and a molecular weight of 234.39 g/mol. Its IUPAC name is [1,4-dithian-2-yl(oxolan-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[1,4-dithian-2-yl(oxolan-3-yl)methyl]hydrazine
PubChem CID105249196
Molecular FormulaC9H18N2OS2
Molecular Weight234.39 g/mol
Exact Mass234.09
IUPAC Name[1,4-dithian-2-yl(oxolan-3-yl)methyl]hydrazine
SMILESNNC(C1CCOC1)C1CSCCS1
InChIInChI=1S/C9H18N2OS2/c10-11-9(7-1-2-12-5-7)8-6-13-3-4-14-8/h7-9,11H,1-6,10H2
InChIKeyHEAUQWLPYGNKHU-UHFFFAOYSA-N
XLogP0.70
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2,3-dihydro-1-benzothiophen-2-yl(oxolan-3-yl)methyl]hydrazine
CID 105306540
1-(1,4-dithian-2-yl)-N-methyl-1-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 79965869
[(3-methylcyclopentyl)-(oxolan-3-yl)methyl]hydrazine
CID 105233097
[(5-methyloxolan-3-yl)-(oxolan-3-yl)methyl]hydrazine
CID 105306641
[(3-methyloxolan-2-yl)-(oxolan-3-yl)methyl]hydrazine
CID 105306639
[oxolan-3-yl-(2,4,5-trimethyloxolan-3-yl)methyl]hydrazine
CID 105306627
N-[1,4-dithian-2-yl(5-oxaspiro[3.5]nonan-8-yl)methyl]ethanamine
CID 79966614
1-(5,6-dimethyl-1,4-dithian-2-yl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 103345883
1,4-oxathian-2-yl(oxolan-3-yl)methanamine
CID 79963411
[1-oxaspiro[5.5]undecan-4-yl(thiolan-2-yl)methyl]hydrazine
CID 105255583
[2-methoxy-1-(oxolan-3-yl)propyl]hydrazine
CID 105246847
[cyclopentyl(thian-2-yl)methyl]hydrazine
CID 105255702

Frequently Asked Questions

What is the IUPAC name of [1,4-dithian-2-yl(oxolan-3-yl)methyl]hydrazine?
The IUPAC name of [1,4-dithian-2-yl(oxolan-3-yl)methyl]hydrazine (CID 105249196) is [1,4-dithian-2-yl(oxolan-3-yl)methyl]hydrazine.
What is the SMILES notation for [1,4-dithian-2-yl(oxolan-3-yl)methyl]hydrazine?
The canonical SMILES for [1,4-dithian-2-yl(oxolan-3-yl)methyl]hydrazine is NNC(C1CCOC1)C1CSCCS1.
What is the InChIKey of [1,4-dithian-2-yl(oxolan-3-yl)methyl]hydrazine?
The InChIKey is HEAUQWLPYGNKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2OS2/c10-11-9(7-1-2-12-5-7)8-6-13-3-4-14-8/h7-9,11H,1-6,10H2.
What are the key properties of [1,4-dithian-2-yl(oxolan-3-yl)methyl]hydrazine?
[1,4-dithian-2-yl(oxolan-3-yl)methyl]hydrazine has a molecular weight of 234.39 g/mol, XLogP of 0.70, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1,4-dithian-2-yl(oxolan-3-yl)methyl]hydrazine is sourced from PubChem (CID 105249196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).