2-hydroxybenzenecarbothiohydrazide

C7H8N2OS — CID 5257267

IUPAC2-hydroxybenzenecarbothiohydrazide
SMILESNNC(=S)c1ccccc1O
InChIInChI=1S/C7H8N2OS/c8-9-7(11)5-3-1-2-4-6(5)10/h1-4,10H,8H2,(H,9,11)
InChIKeyDYMRCANNPJLUJQ-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.53
Rot. Bonds1

About 2-hydroxybenzenecarbothiohydrazide

2-hydroxybenzenecarbothiohydrazide (PubChem CID 5257267) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 2-hydroxybenzenecarbothiohydrazide.

Molecular Properties

Compound Name2-hydroxybenzenecarbothiohydrazide
PubChem CID5257267
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name2-hydroxybenzenecarbothiohydrazide
SMILESNNC(=S)c1ccccc1O
InChIInChI=1S/C7H8N2OS/c8-9-7(11)5-3-1-2-4-6(5)10/h1-4,10H,8H2,(H,9,11)
InChIKeyDYMRCANNPJLUJQ-UHFFFAOYSA-N
XLogP0.53
TPSA58.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.53
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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Related Compounds

2-(Aminomethyl)phenol
CID 70267
3-(Hydrazinylmethyl)phenol
CID 1663
4-Hydroxythiobenzamide
CID 2759344
2-Hydroxybenzenecarbothioamide
CID 2759342
2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)phenol
CID 693307
2-(Aminomethyl)phenol hydrochloride
CID 22058465
3-Hydroxybenzene-1-carbothioamide
CID 2759343
2-(Hydrazinylmethyl)phenol hydrochloride
CID 67281416
N-(2-Hydroxybenzyl)-N-methylhydrazine
CID 193408
5-Chloro-2-hydroxythiobenzhydrazide
CID 136712277
Phenol, 2-(hydrazinomethyl)-
CID 10558684
4-(Hydrazinylmethyl)phenol
CID 17754229

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzenecarbothiohydrazide?
The IUPAC name of 2-hydroxybenzenecarbothiohydrazide (CID 5257267) is 2-hydroxybenzenecarbothiohydrazide.
What is the SMILES notation for 2-hydroxybenzenecarbothiohydrazide?
The canonical SMILES for 2-hydroxybenzenecarbothiohydrazide is NNC(=S)c1ccccc1O.
What is the InChIKey of 2-hydroxybenzenecarbothiohydrazide?
The InChIKey is DYMRCANNPJLUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c8-9-7(11)5-3-1-2-4-6(5)10/h1-4,10H,8H2,(H,9,11).
What are the key properties of 2-hydroxybenzenecarbothiohydrazide?
2-hydroxybenzenecarbothiohydrazide has a molecular weight of 168.22 g/mol, XLogP of 0.53, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzenecarbothiohydrazide is sourced from PubChem (CID 5257267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).