thian-4-ylhydrazine;dihydrochloride

C5H14Cl2N2S — CID 71744178

IUPACthian-4-ylhydrazine;dihydrochloride
SMILESCl.Cl.NNC1CCSCC1
InChIInChI=1S/C5H12N2S.2ClH/c6-7-5-1-3-8-4-2-5;;/h5,7H,1-4,6H2;2*1H
InChIKeyMITZQANCLYNOBV-UHFFFAOYSA-N
MW205.15 g/mol
LogP1.19
Rot. Bonds1

About thian-4-ylhydrazine;dihydrochloride

thian-4-ylhydrazine;dihydrochloride (PubChem CID 71744178) has the molecular formula C5H14Cl2N2S and a molecular weight of 205.15 g/mol. Its IUPAC name is thian-4-ylhydrazine;dihydrochloride.

Molecular Properties

Compound Namethian-4-ylhydrazine;dihydrochloride
PubChem CID71744178
Molecular FormulaC5H14Cl2N2S
Molecular Weight205.15 g/mol
Exact Mass204.03
IUPAC Namethian-4-ylhydrazine;dihydrochloride
SMILESCl.Cl.NNC1CCSCC1
InChIInChI=1S/C5H12N2S.2ClH/c6-7-5-1-3-8-4-2-5;;/h5,7H,1-4,6H2;2*1H
InChIKeyMITZQANCLYNOBV-UHFFFAOYSA-N
XLogP1.19
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.15
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of thian-4-ylhydrazine;dihydrochloride?
The IUPAC name of thian-4-ylhydrazine;dihydrochloride (CID 71744178) is thian-4-ylhydrazine;dihydrochloride.
What is the SMILES notation for thian-4-ylhydrazine;dihydrochloride?
The canonical SMILES for thian-4-ylhydrazine;dihydrochloride is Cl.Cl.NNC1CCSCC1.
What is the InChIKey of thian-4-ylhydrazine;dihydrochloride?
The InChIKey is MITZQANCLYNOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S.2ClH/c6-7-5-1-3-8-4-2-5;;/h5,7H,1-4,6H2;2*1H.
What are the key properties of thian-4-ylhydrazine;dihydrochloride?
thian-4-ylhydrazine;dihydrochloride has a molecular weight of 205.15 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thian-4-ylhydrazine;dihydrochloride is sourced from PubChem (CID 71744178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).