2-(1,1-dioxothiolan-3-yl)sulfanylacetohydrazide

C6H12N2O3S2 — CID 43236741

IUPAC2-(1,1-dioxothiolan-3-yl)sulfanylacetohydrazide
SMILESNNC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C6H12N2O3S2/c7-8-6(9)3-12-5-1-2-13(10,11)4-5/h5H,1-4,7H2,(H,8,9)
InChIKeyAPLFMFVRUKKLMG-UHFFFAOYSA-N
MW224.31 g/mol
LogP-1.10
Rot. Bonds3

About 2-(1,1-dioxothiolan-3-yl)sulfanylacetohydrazide

2-(1,1-dioxothiolan-3-yl)sulfanylacetohydrazide (PubChem CID 43236741) has the molecular formula C6H12N2O3S2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-(1,1-dioxothiolan-3-yl)sulfanylacetohydrazide.

Molecular Properties

Compound Name2-(1,1-dioxothiolan-3-yl)sulfanylacetohydrazide
PubChem CID43236741
Molecular FormulaC6H12N2O3S2
Molecular Weight224.31 g/mol
Exact Mass224.03
IUPAC Name2-(1,1-dioxothiolan-3-yl)sulfanylacetohydrazide
SMILESNNC(=O)CSC1CCS(=O)(=O)C1
InChIInChI=1S/C6H12N2O3S2/c7-8-6(9)3-12-5-1-2-13(10,11)4-5/h5H,1-4,7H2,(H,8,9)
InChIKeyAPLFMFVRUKKLMG-UHFFFAOYSA-N
XLogP-1.10
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'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 2-(1,1-dioxothiolan-3-yl)sulfanylacetohydrazide?
The IUPAC name of 2-(1,1-dioxothiolan-3-yl)sulfanylacetohydrazide (CID 43236741) is 2-(1,1-dioxothiolan-3-yl)sulfanylacetohydrazide.
What is the SMILES notation for 2-(1,1-dioxothiolan-3-yl)sulfanylacetohydrazide?
The canonical SMILES for 2-(1,1-dioxothiolan-3-yl)sulfanylacetohydrazide is NNC(=O)CSC1CCS(=O)(=O)C1.
What is the InChIKey of 2-(1,1-dioxothiolan-3-yl)sulfanylacetohydrazide?
The InChIKey is APLFMFVRUKKLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3S2/c7-8-6(9)3-12-5-1-2-13(10,11)4-5/h5H,1-4,7H2,(H,8,9).
What are the key properties of 2-(1,1-dioxothiolan-3-yl)sulfanylacetohydrazide?
2-(1,1-dioxothiolan-3-yl)sulfanylacetohydrazide has a molecular weight of 224.31 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-dioxothiolan-3-yl)sulfanylacetohydrazide is sourced from PubChem (CID 43236741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).