(2,5-dihydroxy-4-methoxyphenyl) carbamimidothioate

C8H10N2O3S — CID 45093322

IUPAC(2,5-dihydroxy-4-methoxyphenyl) carbamimidothioate
SMILES[H]/N=C(\N)Sc1cc(O)c(OC)cc1O
InChIInChI=1S/C8H10N2O3S/c1-13-6-2-5(12)7(3-4(6)11)14-8(9)10/h2-3,11-12H,1H3,(H3,9,10)
InChIKeyXKJCPGYYIWBZEX-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.09
Rot. Bonds2

About (2,5-dihydroxy-4-methoxyphenyl) carbamimidothioate

(2,5-dihydroxy-4-methoxyphenyl) carbamimidothioate (PubChem CID 45093322) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is (2,5-dihydroxy-4-methoxyphenyl) carbamimidothioate.

Molecular Properties

Compound Name(2,5-dihydroxy-4-methoxyphenyl) carbamimidothioate
PubChem CID45093322
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name(2,5-dihydroxy-4-methoxyphenyl) carbamimidothioate
SMILES[H]/N=C(\N)Sc1cc(O)c(OC)cc1O
InChIInChI=1S/C8H10N2O3S/c1-13-6-2-5(12)7(3-4(6)11)14-8(9)10/h2-3,11-12H,1H3,(H3,9,10)
InChIKeyXKJCPGYYIWBZEX-UHFFFAOYSA-N
XLogP1.09
TPSA99.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2,5-dihydroxy-4-methoxyphenyl) carbamimidothioate 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

5-methoxybenzene-1,2,4-triol
CID 20551665
(2-carbamimidoylsulfanylphenyl) carbamimidothioate;dihydroiodide
CID 68874096
4-(1-aminoethyl)-2,5-dimethoxyphenol
CID 117287023
(3,4-dihydroxyphenyl) carbamimidothioate
CID 5268842
4-iodo-2,5-dimethoxyphenol
CID 10850321
2-bromo-4,5-dimethoxybenzenecarboximidamide
CID 60926806
2-hydroxy-6-methoxybenzenecarboximidamide;hydrochloride
CID 171703209
(3-methoxy-4,5-dimethylphenyl)methyl carbamimidothioate;hydrochloride
CID 158475685
5-methanimidoyl-2-methoxyphenol
CID 23221891
3-methoxy-4-methoxysulfanylbenzenecarboximidamide
CID 142082894
2-methoxy-4-prop-2-enylphenol;propanimidamide
CID 174912037
2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine
CID 168590552

Frequently Asked Questions

What is the IUPAC name of (2,5-dihydroxy-4-methoxyphenyl) carbamimidothioate?
The IUPAC name of (2,5-dihydroxy-4-methoxyphenyl) carbamimidothioate (CID 45093322) is (2,5-dihydroxy-4-methoxyphenyl) carbamimidothioate.
What is the SMILES notation for (2,5-dihydroxy-4-methoxyphenyl) carbamimidothioate?
The canonical SMILES for (2,5-dihydroxy-4-methoxyphenyl) carbamimidothioate is [H]/N=C(\N)Sc1cc(O)c(OC)cc1O.
What is the InChIKey of (2,5-dihydroxy-4-methoxyphenyl) carbamimidothioate?
The InChIKey is XKJCPGYYIWBZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c1-13-6-2-5(12)7(3-4(6)11)14-8(9)10/h2-3,11-12H,1H3,(H3,9,10).
What are the key properties of (2,5-dihydroxy-4-methoxyphenyl) carbamimidothioate?
(2,5-dihydroxy-4-methoxyphenyl) carbamimidothioate has a molecular weight of 214.25 g/mol, XLogP of 1.09, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxy-4-methoxyphenyl) carbamimidothioate is sourced from PubChem (CID 45093322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).