1-hydrazinylidene-1-oxothian-4-ol

C5H12N2O2S — CID 129116466

IUPAC1-hydrazinylidene-1-oxothian-4-ol
SMILESNN=S1(=O)CCC(O)CC1
InChIInChI=1S/C5H12N2O2S/c6-7-10(9)3-1-5(8)2-4-10/h5,8H,1-4,6H2
InChIKeyKORXMHTXRZAVHD-UHFFFAOYSA-N
MW164.23 g/mol
LogP-0.52
Rot. Bonds

About 1-hydrazinylidene-1-oxothian-4-ol

1-hydrazinylidene-1-oxothian-4-ol (PubChem CID 129116466) has the molecular formula C5H12N2O2S and a molecular weight of 164.23 g/mol. Its IUPAC name is 1-hydrazinylidene-1-oxothian-4-ol.

Molecular Properties

Compound Name1-hydrazinylidene-1-oxothian-4-ol
PubChem CID129116466
Molecular FormulaC5H12N2O2S
Molecular Weight164.23 g/mol
Exact Mass164.06
IUPAC Name1-hydrazinylidene-1-oxothian-4-ol
SMILESNN=S1(=O)CCC(O)CC1
InChIInChI=1S/C5H12N2O2S/c6-7-10(9)3-1-5(8)2-4-10/h5,8H,1-4,6H2
InChIKeyKORXMHTXRZAVHD-UHFFFAOYSA-N
XLogP-0.52
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.23
LogP ≤ 5-0.52
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'}

Analyze 1-hydrazinylidene-1-oxothian-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydrazinylidene-1-oxothian-4-ol?
The IUPAC name of 1-hydrazinylidene-1-oxothian-4-ol (CID 129116466) is 1-hydrazinylidene-1-oxothian-4-ol.
What is the SMILES notation for 1-hydrazinylidene-1-oxothian-4-ol?
The canonical SMILES for 1-hydrazinylidene-1-oxothian-4-ol is NN=S1(=O)CCC(O)CC1.
What is the InChIKey of 1-hydrazinylidene-1-oxothian-4-ol?
The InChIKey is KORXMHTXRZAVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2S/c6-7-10(9)3-1-5(8)2-4-10/h5,8H,1-4,6H2.
What are the key properties of 1-hydrazinylidene-1-oxothian-4-ol?
1-hydrazinylidene-1-oxothian-4-ol has a molecular weight of 164.23 g/mol, XLogP of -0.52, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinylidene-1-oxothian-4-ol is sourced from PubChem (CID 129116466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).