(1,1-dihydroxythian-4-yl)hydrazine;hydrochloride

C5H15ClN2O2S — CID 126619325

IUPAC(1,1-dihydroxythian-4-yl)hydrazine;hydrochloride
SMILESCl.NNC1CCS(O)(O)CC1
InChIInChI=1S/C5H14N2O2S.ClH/c6-7-5-1-3-10(8,9)4-2-5;/h5,7-9H,1-4,6H2;1H
InChIKeyOYNWKCGXGVQRQA-UHFFFAOYSA-N
MW202.71 g/mol
LogP0.78
Rot. Bonds1

About (1,1-dihydroxythian-4-yl)hydrazine;hydrochloride

(1,1-dihydroxythian-4-yl)hydrazine;hydrochloride (PubChem CID 126619325) has the molecular formula C5H15ClN2O2S and a molecular weight of 202.71 g/mol. Its IUPAC name is (1,1-dihydroxythian-4-yl)hydrazine;hydrochloride.

Molecular Properties

Compound Name(1,1-dihydroxythian-4-yl)hydrazine;hydrochloride
PubChem CID126619325
Molecular FormulaC5H15ClN2O2S
Molecular Weight202.71 g/mol
Exact Mass202.05
IUPAC Name(1,1-dihydroxythian-4-yl)hydrazine;hydrochloride
SMILESCl.NNC1CCS(O)(O)CC1
InChIInChI=1S/C5H14N2O2S.ClH/c6-7-5-1-3-10(8,9)4-2-5;/h5,7-9H,1-4,6H2;1H
InChIKeyOYNWKCGXGVQRQA-UHFFFAOYSA-N
XLogP0.78
TPSA78.51 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 50.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 (1,1-dihydroxythian-4-yl)hydrazine;hydrochloride?
The IUPAC name of (1,1-dihydroxythian-4-yl)hydrazine;hydrochloride (CID 126619325) is (1,1-dihydroxythian-4-yl)hydrazine;hydrochloride.
What is the SMILES notation for (1,1-dihydroxythian-4-yl)hydrazine;hydrochloride?
The canonical SMILES for (1,1-dihydroxythian-4-yl)hydrazine;hydrochloride is Cl.NNC1CCS(O)(O)CC1.
What is the InChIKey of (1,1-dihydroxythian-4-yl)hydrazine;hydrochloride?
The InChIKey is OYNWKCGXGVQRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N2O2S.ClH/c6-7-5-1-3-10(8,9)4-2-5;/h5,7-9H,1-4,6H2;1H.
What are the key properties of (1,1-dihydroxythian-4-yl)hydrazine;hydrochloride?
(1,1-dihydroxythian-4-yl)hydrazine;hydrochloride has a molecular weight of 202.71 g/mol, XLogP of 0.78, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dihydroxythian-4-yl)hydrazine;hydrochloride is sourced from PubChem (CID 126619325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).