2-dihydroxyphosphanyloxybenzenecarbothioic S-acid

C7H7O4PS — CID 130385293

IUPAC2-dihydroxyphosphanyloxybenzenecarbothioic S-acid
SMILESO=C(S)c1ccccc1OP(O)O
InChIInChI=1S/C7H7O4PS/c8-7(13)5-3-1-2-4-6(5)11-12(9)10/h1-4,9-10H,(H,8,13)
InChIKeyOCHOVQQOCDALLY-UHFFFAOYSA-N
MW218.17 g/mol
LogP1.35
Rot. Bonds3

About 2-dihydroxyphosphanyloxybenzenecarbothioic S-acid

2-dihydroxyphosphanyloxybenzenecarbothioic S-acid (PubChem CID 130385293) has the molecular formula C7H7O4PS and a molecular weight of 218.17 g/mol. Its IUPAC name is 2-dihydroxyphosphanyloxybenzenecarbothioic S-acid.

Molecular Properties

Compound Name2-dihydroxyphosphanyloxybenzenecarbothioic S-acid
PubChem CID130385293
Molecular FormulaC7H7O4PS
Molecular Weight218.17 g/mol
Exact Mass217.98
IUPAC Name2-dihydroxyphosphanyloxybenzenecarbothioic S-acid
SMILESO=C(S)c1ccccc1OP(O)O
InChIInChI=1S/C7H7O4PS/c8-7(13)5-3-1-2-4-6(5)11-12(9)10/h1-4,9-10H,(H,8,13)
InChIKeyOCHOVQQOCDALLY-UHFFFAOYSA-N
XLogP1.35
TPSA66.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.17
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'thioester', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-dihydroxyphosphanyloxybenzenecarbothioic S-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

(2-chlorophenyl) dihydrogen phosphite
CID 22639248
2-hydroxybenzenecarbothioic S-acid;manganese
CID 88742356
2-(4,6-dimethoxypyrimidin-2-yl)oxybenzenecarbothioic S-acid
CID 88600635
dihydroxyphosphanyl 2-hydroxybenzoate
CID 141059602
2-(3-cyanophenoxy)benzenecarbothioic S-acid
CID 175378673
2-(phenylcarbamoyl)benzenecarbothioic S-acid
CID 118007964
2-(dimethoxymethyl)benzenecarbothioic S-acid
CID 21296747
2-[[2-bis(2-carboxyphenyl)phosphanyloxyphenoxy]-(2-carboxyphenyl)phosphanyl]benzoic acid
CID 177097800
benzenethiol;2-sulfanylbenzenecarbothioic S-acid
CID 87477065
2-ethynylbenzenecarbothioic S-acid
CID 172841232
2-(trichloromethyl)benzenecarbothioic S-acid
CID 141313140
S-[3-(2-dihydroxyphosphanyloxyphenyl)-3-methylbutanoyl]sulfanyl 3-(2-dihydroxyphosphanyloxyphenyl)-3-methylbutanethioate
CID 145166399

Frequently Asked Questions

What is the IUPAC name of 2-dihydroxyphosphanyloxybenzenecarbothioic S-acid?
The IUPAC name of 2-dihydroxyphosphanyloxybenzenecarbothioic S-acid (CID 130385293) is 2-dihydroxyphosphanyloxybenzenecarbothioic S-acid.
What is the SMILES notation for 2-dihydroxyphosphanyloxybenzenecarbothioic S-acid?
The canonical SMILES for 2-dihydroxyphosphanyloxybenzenecarbothioic S-acid is O=C(S)c1ccccc1OP(O)O.
What is the InChIKey of 2-dihydroxyphosphanyloxybenzenecarbothioic S-acid?
The InChIKey is OCHOVQQOCDALLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O4PS/c8-7(13)5-3-1-2-4-6(5)11-12(9)10/h1-4,9-10H,(H,8,13).
What are the key properties of 2-dihydroxyphosphanyloxybenzenecarbothioic S-acid?
2-dihydroxyphosphanyloxybenzenecarbothioic S-acid has a molecular weight of 218.17 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dihydroxyphosphanyloxybenzenecarbothioic S-acid is sourced from PubChem (CID 130385293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).