4-methoxybenzenecarbothiohydrazide

C8H10N2OS — CID 668207

IUPAC4-methoxybenzenecarbothiohydrazide
SMILESCOc1ccc(C(=S)NN)cc1
InChIInChI=1S/C8H10N2OS/c1-11-7-4-2-6(3-5-7)8(12)10-9/h2-5H,9H2,1H3,(H,10,12)
InChIKeyLWUCPXUQMBECHJ-UHFFFAOYSA-N
MW182.25 g/mol
LogP0.83
Rot. Bonds2

About 4-methoxybenzenecarbothiohydrazide

4-methoxybenzenecarbothiohydrazide (PubChem CID 668207) has the molecular formula C8H10N2OS and a molecular weight of 182.25 g/mol. Its IUPAC name is 4-methoxybenzenecarbothiohydrazide.

Molecular Properties

Compound Name4-methoxybenzenecarbothiohydrazide
PubChem CID668207
Molecular FormulaC8H10N2OS
Molecular Weight182.25 g/mol
Exact Mass182.05
IUPAC Name4-methoxybenzenecarbothiohydrazide
SMILESCOc1ccc(C(=S)NN)cc1
InChIInChI=1S/C8H10N2OS/c1-11-7-4-2-6(3-5-7)8(12)10-9/h2-5H,9H2,1H3,(H,10,12)
InChIKeyLWUCPXUQMBECHJ-UHFFFAOYSA-N
XLogP0.83
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.25
LogP ≤ 50.83
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'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methoxybenzenecarbothiohydrazide?
The IUPAC name of 4-methoxybenzenecarbothiohydrazide (CID 668207) is 4-methoxybenzenecarbothiohydrazide.
What is the SMILES notation for 4-methoxybenzenecarbothiohydrazide?
The canonical SMILES for 4-methoxybenzenecarbothiohydrazide is COc1ccc(C(=S)NN)cc1.
What is the InChIKey of 4-methoxybenzenecarbothiohydrazide?
The InChIKey is LWUCPXUQMBECHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2OS/c1-11-7-4-2-6(3-5-7)8(12)10-9/h2-5H,9H2,1H3,(H,10,12).
What are the key properties of 4-methoxybenzenecarbothiohydrazide?
4-methoxybenzenecarbothiohydrazide has a molecular weight of 182.25 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxybenzenecarbothiohydrazide is sourced from PubChem (CID 668207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).