5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc

C7H5ClO2SZn — CID 88741905

IUPAC5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc
SMILESO=C(S)c1cc(Cl)ccc1O.[Zn]
InChIInChI=1S/C7H5ClO2S.Zn/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,9H,(H,10,11);
InChIKeyLDFQBKCSFHWEJZ-UHFFFAOYSA-N
MW254.03 g/mol
LogP2.11
Rot. Bonds1

About 5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc

5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc (PubChem CID 88741905) has the molecular formula C7H5ClO2SZn and a molecular weight of 254.03 g/mol. Its IUPAC name is 5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc.

Molecular Properties

Compound Name5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc
PubChem CID88741905
Molecular FormulaC7H5ClO2SZn
Molecular Weight254.03 g/mol
Exact Mass251.90
IUPAC Name5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc
SMILESO=C(S)c1cc(Cl)ccc1O.[Zn]
InChIInChI=1S/C7H5ClO2S.Zn/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,9H,(H,10,11);
InChIKeyLDFQBKCSFHWEJZ-UHFFFAOYSA-N
XLogP2.11
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.03
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc 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-chloro-2-hydroxy-N-sulfanylbenzamide
CID 130240285
calcium;5-chloro-2-hydroxybenzoic acid;hydride
CID 174504492
(5-chloro-2-hydroxyphenyl)-(3,5-dichlorophenyl)methanone
CID 58962676
5-chloro-2-hydroxybenzenecarbothioamide
CID 135760562
2-[(5-chloro-2-hydroxybenzoyl)amino]acetic acid
CID 15858288
(5-chloro-2-hydroxyphenyl)-(2-methylphenyl)methanone
CID 21463072
CID 67784559
CID 67784559
(Z)-1-(5-chloro-2-hydroxyphenyl)-3-(4-chlorophenyl)prop-2-en-1-one
CID 92532750
4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 3406457
5-chloro-N-(4-fluorophenyl)-2-hydroxy-N-methylbenzamide
CID 61063244
4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1,2-diol
CID 171689350
1-(5-chloro-2-hydroxyphenyl)-3-(dimethylamino)propan-1-one
CID 12572233

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc?
The IUPAC name of 5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc (CID 88741905) is 5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc.
What is the SMILES notation for 5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc?
The canonical SMILES for 5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc is O=C(S)c1cc(Cl)ccc1O.[Zn].
What is the InChIKey of 5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc?
The InChIKey is LDFQBKCSFHWEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClO2S.Zn/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3,9H,(H,10,11);.
What are the key properties of 5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc?
5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc has a molecular weight of 254.03 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-hydroxybenzenecarbothioic S-acid;zinc is sourced from PubChem (CID 88741905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).