3-[[amino(methylsulfanyl)methylidene]amino]-5-hydroxybenzoic acid

C9H10N2O3S — CID 10878855

IUPAC3-[[amino(methylsulfanyl)methylidene]amino]-5-hydroxybenzoic acid
SMILESCS/C(N)=N\c1cc(O)cc(C(=O)O)c1
InChIInChI=1S/C9H10N2O3S/c1-15-9(10)11-6-2-5(8(13)14)3-7(12)4-6/h2-4,12H,1H3,(H2,10,11)(H,13,14)
InChIKeyKVEYVODDXGOKCM-UHFFFAOYSA-N
MW226.26 g/mol
LogP1.40
Rot. Bonds2

About 3-[[amino(methylsulfanyl)methylidene]amino]-5-hydroxybenzoic acid

3-[[amino(methylsulfanyl)methylidene]amino]-5-hydroxybenzoic acid (PubChem CID 10878855) has the molecular formula C9H10N2O3S and a molecular weight of 226.26 g/mol. Its IUPAC name is 3-[[amino(methylsulfanyl)methylidene]amino]-5-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[[amino(methylsulfanyl)methylidene]amino]-5-hydroxybenzoic acid
PubChem CID10878855
Molecular FormulaC9H10N2O3S
Molecular Weight226.26 g/mol
Exact Mass226.04
IUPAC Name3-[[amino(methylsulfanyl)methylidene]amino]-5-hydroxybenzoic acid
SMILESCS/C(N)=N\c1cc(O)cc(C(=O)O)c1
InChIInChI=1S/C9H10N2O3S/c1-15-9(10)11-6-2-5(8(13)14)3-7(12)4-6/h2-4,12H,1H3,(H2,10,11)(H,13,14)
InChIKeyKVEYVODDXGOKCM-UHFFFAOYSA-N
XLogP1.40
TPSA95.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.26
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 3-[[amino(methylsulfanyl)methylidene]amino]-5-hydroxybenzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1-amino-2-chloroethylidene)amino]-5-hydroxybenzoic acid
CID 169365421
3,5-dihydroxybenzoic acid
CID 66745884
methyl N'-(4-methylsulfanylphenyl)carbamimidothioate
CID 130017977
3-amino-5-hydroxybenzoic acid;fluoromethane
CID 143667983
bis(3,5-dihydroxybenzoic acid);ethane-1,2-diol
CID 68729740
3-(1-aminoethyl)-5-hydroxybenzoic acid
CID 130001368
methyl N'-(4-nitrophenyl)carbamimidothioate;hydroiodide
CID 22100069
3-(1-aminoethylideneamino)benzoic acid
CID 10775025
3-[[amino-(diaminomethylideneamino)methylidene]amino]-5-methylsulfonylbenzoic acid
CID 168603146
lithium;dimethyl 5-hydroxybenzene-1,3-dicarboxylate;5-hydroxybenzene-1,3-dicarboxylic acid;hydroxide
CID 157422801
3-hydroxy-5-(3-methylsulfanylphenyl)benzoic acid
CID 53226391
3,5-bis(methylsulfanyl)benzoic acid
CID 21445961

Frequently Asked Questions

What is the IUPAC name of 3-[[amino(methylsulfanyl)methylidene]amino]-5-hydroxybenzoic acid?
The IUPAC name of 3-[[amino(methylsulfanyl)methylidene]amino]-5-hydroxybenzoic acid (CID 10878855) is 3-[[amino(methylsulfanyl)methylidene]amino]-5-hydroxybenzoic acid.
What is the SMILES notation for 3-[[amino(methylsulfanyl)methylidene]amino]-5-hydroxybenzoic acid?
The canonical SMILES for 3-[[amino(methylsulfanyl)methylidene]amino]-5-hydroxybenzoic acid is CS/C(N)=N\c1cc(O)cc(C(=O)O)c1.
What is the InChIKey of 3-[[amino(methylsulfanyl)methylidene]amino]-5-hydroxybenzoic acid?
The InChIKey is KVEYVODDXGOKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O3S/c1-15-9(10)11-6-2-5(8(13)14)3-7(12)4-6/h2-4,12H,1H3,(H2,10,11)(H,13,14).
What are the key properties of 3-[[amino(methylsulfanyl)methylidene]amino]-5-hydroxybenzoic acid?
3-[[amino(methylsulfanyl)methylidene]amino]-5-hydroxybenzoic acid has a molecular weight of 226.26 g/mol, XLogP of 1.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[amino(methylsulfanyl)methylidene]amino]-5-hydroxybenzoic acid is sourced from PubChem (CID 10878855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).