2-(3-hydrazinyl-4-sulfanylphenyl)-2-hydroxyacetic acid

C8H10N2O3S — CID 130772179

IUPAC2-(3-hydrazinyl-4-sulfanylphenyl)-2-hydroxyacetic acid
SMILESNNc1cc(C(O)C(=O)O)ccc1S
InChIInChI=1S/C8H10N2O3S/c9-10-5-3-4(1-2-6(5)14)7(11)8(12)13/h1-3,7,10-11,14H,9H2,(H,12,13)
InChIKeyAOUVCPZMIWFQOZ-UHFFFAOYSA-N
MW214.25 g/mol
LogP0.38
Rot. Bonds3

About 2-(3-hydrazinyl-4-sulfanylphenyl)-2-hydroxyacetic acid

2-(3-hydrazinyl-4-sulfanylphenyl)-2-hydroxyacetic acid (PubChem CID 130772179) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is 2-(3-hydrazinyl-4-sulfanylphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-hydrazinyl-4-sulfanylphenyl)-2-hydroxyacetic acid
PubChem CID130772179
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name2-(3-hydrazinyl-4-sulfanylphenyl)-2-hydroxyacetic acid
SMILESNNc1cc(C(O)C(=O)O)ccc1S
InChIInChI=1S/C8H10N2O3S/c9-10-5-3-4(1-2-6(5)14)7(11)8(12)13/h1-3,7,10-11,14H,9H2,(H,12,13)
InChIKeyAOUVCPZMIWFQOZ-UHFFFAOYSA-N
XLogP0.38
TPSA95.58 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 50.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-2-(3-propanoyl-4-sulfanylphenyl)acetic acid
CID 118844351
2-hydroxy-2-[3-sulfanyl-4-(trifluoromethoxy)phenyl]acetic acid
CID 170999310
2-(5-bromo-2-hydrazinylphenyl)-2-hydroxyacetic acid
CID 131011158
2-(5-chloro-2-hydrazinylphenyl)-2-hydroxyacetic acid
CID 130779254
(2R)-2-(4-acetamido-3-methylphenyl)-2-hydroxyacetic acid
CID 57182307
2-(2-amino-3-hydrazinylphenyl)-2-hydroxyacetic acid
CID 119012765
(2R)-2-(3,4-diethylphenyl)-2-hydroxyacetic acid
CID 57059044
(2R)-2-hydroxy-2-(3-hydroxy-4-methylphenyl)acetic acid
CID 57154315
(2R)-2-hydroxy-2-phenylacetic acid
CID 139040954
2-((1,2,3,4,5,6-13C6)cyclohexatrienyl)-2-hydroxyacetic acid
CID 11019130
(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 785083
CID 70480259
CID 70480259

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydrazinyl-4-sulfanylphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-hydrazinyl-4-sulfanylphenyl)-2-hydroxyacetic acid (CID 130772179) is 2-(3-hydrazinyl-4-sulfanylphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-hydrazinyl-4-sulfanylphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-hydrazinyl-4-sulfanylphenyl)-2-hydroxyacetic acid is NNc1cc(C(O)C(=O)O)ccc1S.
What is the InChIKey of 2-(3-hydrazinyl-4-sulfanylphenyl)-2-hydroxyacetic acid?
The InChIKey is AOUVCPZMIWFQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c9-10-5-3-4(1-2-6(5)14)7(11)8(12)13/h1-3,7,10-11,14H,9H2,(H,12,13).
What are the key properties of 2-(3-hydrazinyl-4-sulfanylphenyl)-2-hydroxyacetic acid?
2-(3-hydrazinyl-4-sulfanylphenyl)-2-hydroxyacetic acid has a molecular weight of 214.25 g/mol, XLogP of 0.38, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydrazinyl-4-sulfanylphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 130772179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).