S-(hydrazinecarbonyl) benzenecarbothioate

C8H8N2O2S — CID 90938948

IUPACS-(hydrazinecarbonyl) benzenecarbothioate
SMILESNNC(=O)SC(=O)c1ccccc1
InChIInChI=1S/C8H8N2O2S/c9-10-8(12)13-7(11)6-4-2-1-3-5-6/h1-5H,9H2,(H,10,12)
InChIKeyMZPQROOYCREOTG-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.14
Rot. Bonds1

About S-(hydrazinecarbonyl) benzenecarbothioate

S-(hydrazinecarbonyl) benzenecarbothioate (PubChem CID 90938948) has the molecular formula C8H8N2O2S and a molecular weight of 196.23 g/mol. Its IUPAC name is S-(hydrazinecarbonyl) benzenecarbothioate.

Molecular Properties

Compound NameS-(hydrazinecarbonyl) benzenecarbothioate
PubChem CID90938948
Molecular FormulaC8H8N2O2S
Molecular Weight196.23 g/mol
Exact Mass196.03
IUPAC NameS-(hydrazinecarbonyl) benzenecarbothioate
SMILESNNC(=O)SC(=O)c1ccccc1
InChIInChI=1S/C8H8N2O2S/c9-10-8(12)13-7(11)6-4-2-1-3-5-6/h1-5H,9H2,(H,10,12)
InChIKeyMZPQROOYCREOTG-UHFFFAOYSA-N
XLogP1.14
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'thioester', 'substructure': 'N/A'}

Analyze S-(hydrazinecarbonyl) benzenecarbothioate 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 S-(hydrazinecarbonyl) benzenecarbothioate?
The IUPAC name of S-(hydrazinecarbonyl) benzenecarbothioate (CID 90938948) is S-(hydrazinecarbonyl) benzenecarbothioate.
What is the SMILES notation for S-(hydrazinecarbonyl) benzenecarbothioate?
The canonical SMILES for S-(hydrazinecarbonyl) benzenecarbothioate is NNC(=O)SC(=O)c1ccccc1.
What is the InChIKey of S-(hydrazinecarbonyl) benzenecarbothioate?
The InChIKey is MZPQROOYCREOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2S/c9-10-8(12)13-7(11)6-4-2-1-3-5-6/h1-5H,9H2,(H,10,12).
What are the key properties of S-(hydrazinecarbonyl) benzenecarbothioate?
S-(hydrazinecarbonyl) benzenecarbothioate has a molecular weight of 196.23 g/mol, XLogP of 1.14, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for S-(hydrazinecarbonyl) benzenecarbothioate is sourced from PubChem (CID 90938948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).