3,5-dichlorobenzenecarbothiohydrazide

C7H6Cl2N2S — CID 2824620

IUPAC3,5-dichlorobenzenecarbothiohydrazide
SMILESNNC(=S)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H6Cl2N2S/c8-5-1-4(7(12)11-10)2-6(9)3-5/h1-3H,10H2,(H,11,12)
InChIKeyYHXZPVDPHZSIET-UHFFFAOYSA-N
MW221.11 g/mol
LogP2.13
Rot. Bonds1

About 3,5-dichlorobenzenecarbothiohydrazide

3,5-dichlorobenzenecarbothiohydrazide (PubChem CID 2824620) has the molecular formula C7H6Cl2N2S and a molecular weight of 221.11 g/mol. Its IUPAC name is 3,5-dichlorobenzenecarbothiohydrazide.

Molecular Properties

Compound Name3,5-dichlorobenzenecarbothiohydrazide
PubChem CID2824620
Molecular FormulaC7H6Cl2N2S
Molecular Weight221.11 g/mol
Exact Mass219.96
IUPAC Name3,5-dichlorobenzenecarbothiohydrazide
SMILESNNC(=S)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C7H6Cl2N2S/c8-5-1-4(7(12)11-10)2-6(9)3-5/h1-3H,10H2,(H,11,12)
InChIKeyYHXZPVDPHZSIET-UHFFFAOYSA-N
XLogP2.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.11
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3,5-dichlorobenzenecarbothiohydrazide 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 3,5-dichlorobenzenecarbothiohydrazide?
The IUPAC name of 3,5-dichlorobenzenecarbothiohydrazide (CID 2824620) is 3,5-dichlorobenzenecarbothiohydrazide.
What is the SMILES notation for 3,5-dichlorobenzenecarbothiohydrazide?
The canonical SMILES for 3,5-dichlorobenzenecarbothiohydrazide is NNC(=S)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 3,5-dichlorobenzenecarbothiohydrazide?
The InChIKey is YHXZPVDPHZSIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N2S/c8-5-1-4(7(12)11-10)2-6(9)3-5/h1-3H,10H2,(H,11,12).
What are the key properties of 3,5-dichlorobenzenecarbothiohydrazide?
3,5-dichlorobenzenecarbothiohydrazide has a molecular weight of 221.11 g/mol, XLogP of 2.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichlorobenzenecarbothiohydrazide is sourced from PubChem (CID 2824620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).