2-hydroxybenzenecarbothiohydrazide;hydrate

C7H10N2O2S — CID 139181566

IUPAC2-hydroxybenzenecarbothiohydrazide;hydrate
SMILESNNC(=S)c1ccccc1O.O
InChIInChI=1S/C7H8N2OS.H2O/c8-9-7(11)5-3-1-2-4-6(5)10;/h1-4,10H,8H2,(H,9,11);1H2
InChIKeyQGFTZGFQSXPIDQ-UHFFFAOYSA-N
MW186.24 g/mol
LogP-0.29
Rot. Bonds1

About 2-hydroxybenzenecarbothiohydrazide;hydrate

2-hydroxybenzenecarbothiohydrazide;hydrate (PubChem CID 139181566) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 2-hydroxybenzenecarbothiohydrazide;hydrate.

Molecular Properties

Compound Name2-hydroxybenzenecarbothiohydrazide;hydrate
PubChem CID139181566
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name2-hydroxybenzenecarbothiohydrazide;hydrate
SMILESNNC(=S)c1ccccc1O.O
InChIInChI=1S/C7H8N2OS.H2O/c8-9-7(11)5-3-1-2-4-6(5)10;/h1-4,10H,8H2,(H,9,11);1H2
InChIKeyQGFTZGFQSXPIDQ-UHFFFAOYSA-N
XLogP-0.29
TPSA89.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 5-0.29
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 2-hydroxybenzenecarbothiohydrazide;hydrate?
The IUPAC name of 2-hydroxybenzenecarbothiohydrazide;hydrate (CID 139181566) is 2-hydroxybenzenecarbothiohydrazide;hydrate.
What is the SMILES notation for 2-hydroxybenzenecarbothiohydrazide;hydrate?
The canonical SMILES for 2-hydroxybenzenecarbothiohydrazide;hydrate is NNC(=S)c1ccccc1O.O.
What is the InChIKey of 2-hydroxybenzenecarbothiohydrazide;hydrate?
The InChIKey is QGFTZGFQSXPIDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS.H2O/c8-9-7(11)5-3-1-2-4-6(5)10;/h1-4,10H,8H2,(H,9,11);1H2.
What are the key properties of 2-hydroxybenzenecarbothiohydrazide;hydrate?
2-hydroxybenzenecarbothiohydrazide;hydrate has a molecular weight of 186.24 g/mol, XLogP of -0.29, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzenecarbothiohydrazide;hydrate is sourced from PubChem (CID 139181566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).