(3-methyl-1,1-dioxothiolan-3-yl)hydrazine;hydrochloride

C5H13ClN2O2S — CID 42917392

IUPAC(3-methyl-1,1-dioxothiolan-3-yl)hydrazine;hydrochloride
SMILESCC1(NN)CCS(=O)(=O)C1.Cl
InChIInChI=1S/C5H12N2O2S.ClH/c1-5(7-6)2-3-10(8,9)4-5;/h7H,2-4,6H2,1H3;1H
InChIKeyFJTAKKPBYCADKX-UHFFFAOYSA-N
MW200.69 g/mol
LogP-0.55
Rot. Bonds1

About (3-methyl-1,1-dioxothiolan-3-yl)hydrazine;hydrochloride

(3-methyl-1,1-dioxothiolan-3-yl)hydrazine;hydrochloride (PubChem CID 42917392) has the molecular formula C5H13ClN2O2S and a molecular weight of 200.69 g/mol. Its IUPAC name is (3-methyl-1,1-dioxothiolan-3-yl)hydrazine;hydrochloride.

Molecular Properties

Compound Name(3-methyl-1,1-dioxothiolan-3-yl)hydrazine;hydrochloride
PubChem CID42917392
Molecular FormulaC5H13ClN2O2S
Molecular Weight200.69 g/mol
Exact Mass200.04
IUPAC Name(3-methyl-1,1-dioxothiolan-3-yl)hydrazine;hydrochloride
SMILESCC1(NN)CCS(=O)(=O)C1.Cl
InChIInChI=1S/C5H12N2O2S.ClH/c1-5(7-6)2-3-10(8,9)4-5;/h7H,2-4,6H2,1H3;1H
InChIKeyFJTAKKPBYCADKX-UHFFFAOYSA-N
XLogP-0.55
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.69
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
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 (3-methyl-1,1-dioxothiolan-3-yl)hydrazine;hydrochloride?
The IUPAC name of (3-methyl-1,1-dioxothiolan-3-yl)hydrazine;hydrochloride (CID 42917392) is (3-methyl-1,1-dioxothiolan-3-yl)hydrazine;hydrochloride.
What is the SMILES notation for (3-methyl-1,1-dioxothiolan-3-yl)hydrazine;hydrochloride?
The canonical SMILES for (3-methyl-1,1-dioxothiolan-3-yl)hydrazine;hydrochloride is CC1(NN)CCS(=O)(=O)C1.Cl.
What is the InChIKey of (3-methyl-1,1-dioxothiolan-3-yl)hydrazine;hydrochloride?
The InChIKey is FJTAKKPBYCADKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S.ClH/c1-5(7-6)2-3-10(8,9)4-5;/h7H,2-4,6H2,1H3;1H.
What are the key properties of (3-methyl-1,1-dioxothiolan-3-yl)hydrazine;hydrochloride?
(3-methyl-1,1-dioxothiolan-3-yl)hydrazine;hydrochloride has a molecular weight of 200.69 g/mol, XLogP of -0.55, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,1-dioxothiolan-3-yl)hydrazine;hydrochloride is sourced from PubChem (CID 42917392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).