5-chloro-2-hydroxybenzenecarbothiohydrazide

C7H7ClN2OS — CID 136712277

IUPAC5-chloro-2-hydroxybenzenecarbothiohydrazide
SMILESNNC(=S)c1cc(Cl)ccc1O
InChIInChI=1S/C7H7ClN2OS/c8-4-1-2-6(11)5(3-4)7(12)10-9/h1-3,11H,9H2,(H,10,12)
InChIKeyWDEXRNKYQBTSLN-UHFFFAOYSA-N
MW202.67 g/mol
LogP1.18
Rot. Bonds1

About 5-chloro-2-hydroxybenzenecarbothiohydrazide

5-chloro-2-hydroxybenzenecarbothiohydrazide (PubChem CID 136712277) has the molecular formula C7H7ClN2OS and a molecular weight of 202.67 g/mol. Its IUPAC name is 5-chloro-2-hydroxybenzenecarbothiohydrazide.

Molecular Properties

Compound Name5-chloro-2-hydroxybenzenecarbothiohydrazide
PubChem CID136712277
Molecular FormulaC7H7ClN2OS
Molecular Weight202.67 g/mol
Exact Mass202.00
IUPAC Name5-chloro-2-hydroxybenzenecarbothiohydrazide
SMILESNNC(=S)c1cc(Cl)ccc1O
InChIInChI=1S/C7H7ClN2OS/c8-4-1-2-6(11)5(3-4)7(12)10-9/h1-3,11H,9H2,(H,10,12)
InChIKeyWDEXRNKYQBTSLN-UHFFFAOYSA-N
XLogP1.18
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.67
LogP ≤ 51.18
H-Bond Donors ≤ 53
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 5-chloro-2-hydroxybenzenecarbothiohydrazide?
The IUPAC name of 5-chloro-2-hydroxybenzenecarbothiohydrazide (CID 136712277) is 5-chloro-2-hydroxybenzenecarbothiohydrazide.
What is the SMILES notation for 5-chloro-2-hydroxybenzenecarbothiohydrazide?
The canonical SMILES for 5-chloro-2-hydroxybenzenecarbothiohydrazide is NNC(=S)c1cc(Cl)ccc1O.
What is the InChIKey of 5-chloro-2-hydroxybenzenecarbothiohydrazide?
The InChIKey is WDEXRNKYQBTSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2OS/c8-4-1-2-6(11)5(3-4)7(12)10-9/h1-3,11H,9H2,(H,10,12).
What are the key properties of 5-chloro-2-hydroxybenzenecarbothiohydrazide?
5-chloro-2-hydroxybenzenecarbothiohydrazide has a molecular weight of 202.67 g/mol, XLogP of 1.18, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxybenzenecarbothiohydrazide is sourced from PubChem (CID 136712277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).