thian-4-ylhydrazine;hydrochloride

C5H13ClN2S — CID 22593898

IUPACthian-4-ylhydrazine;hydrochloride
SMILESCl.NNC1CCSCC1
InChIInChI=1S/C5H12N2S.ClH/c6-7-5-1-3-8-4-2-5;/h5,7H,1-4,6H2;1H
InChIKeyGKVKKLXPZUFGAC-UHFFFAOYSA-N
MW168.69 g/mol
LogP0.77
Rot. Bonds1

About thian-4-ylhydrazine;hydrochloride

thian-4-ylhydrazine;hydrochloride (PubChem CID 22593898) has the molecular formula C5H13ClN2S and a molecular weight of 168.69 g/mol. Its IUPAC name is thian-4-ylhydrazine;hydrochloride.

Molecular Properties

Compound Namethian-4-ylhydrazine;hydrochloride
PubChem CID22593898
Molecular FormulaC5H13ClN2S
Molecular Weight168.69 g/mol
Exact Mass168.05
IUPAC Namethian-4-ylhydrazine;hydrochloride
SMILESCl.NNC1CCSCC1
InChIInChI=1S/C5H12N2S.ClH/c6-7-5-1-3-8-4-2-5;/h5,7H,1-4,6H2;1H
InChIKeyGKVKKLXPZUFGAC-UHFFFAOYSA-N
XLogP0.77
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.69
LogP ≤ 50.77
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;hydrochloride?
The IUPAC name of thian-4-ylhydrazine;hydrochloride (CID 22593898) is thian-4-ylhydrazine;hydrochloride.
What is the SMILES notation for thian-4-ylhydrazine;hydrochloride?
The canonical SMILES for thian-4-ylhydrazine;hydrochloride is Cl.NNC1CCSCC1.
What is the InChIKey of thian-4-ylhydrazine;hydrochloride?
The InChIKey is GKVKKLXPZUFGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2S.ClH/c6-7-5-1-3-8-4-2-5;/h5,7H,1-4,6H2;1H.
What are the key properties of thian-4-ylhydrazine;hydrochloride?
thian-4-ylhydrazine;hydrochloride has a molecular weight of 168.69 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for thian-4-ylhydrazine;hydrochloride is sourced from PubChem (CID 22593898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).