2-hydroxybenzenecarbothioic S-acid;manganese

C7H6MnO2S — CID 88742356

IUPAC2-hydroxybenzenecarbothioic S-acid;manganese
SMILESO=C(S)c1ccccc1O.[Mn]
InChIInChI=1S/C7H6O2S.Mn/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);
InChIKeySIFZEMQNXUWZRC-UHFFFAOYSA-N
MW209.13 g/mol
LogP1.46
Rot. Bonds1

About 2-hydroxybenzenecarbothioic S-acid;manganese

2-hydroxybenzenecarbothioic S-acid;manganese (PubChem CID 88742356) has the molecular formula C7H6MnO2S and a molecular weight of 209.13 g/mol. Its IUPAC name is 2-hydroxybenzenecarbothioic S-acid;manganese.

Molecular Properties

Compound Name2-hydroxybenzenecarbothioic S-acid;manganese
PubChem CID88742356
Molecular FormulaC7H6MnO2S
Molecular Weight209.13 g/mol
Exact Mass208.95
IUPAC Name2-hydroxybenzenecarbothioic S-acid;manganese
SMILESO=C(S)c1ccccc1O.[Mn]
InChIInChI=1S/C7H6O2S.Mn/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);
InChIKeySIFZEMQNXUWZRC-UHFFFAOYSA-N
XLogP1.46
TPSA37.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.13
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzenecarbothioic S-acid;manganese?
The IUPAC name of 2-hydroxybenzenecarbothioic S-acid;manganese (CID 88742356) is 2-hydroxybenzenecarbothioic S-acid;manganese.
What is the SMILES notation for 2-hydroxybenzenecarbothioic S-acid;manganese?
The canonical SMILES for 2-hydroxybenzenecarbothioic S-acid;manganese is O=C(S)c1ccccc1O.[Mn].
What is the InChIKey of 2-hydroxybenzenecarbothioic S-acid;manganese?
The InChIKey is SIFZEMQNXUWZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2S.Mn/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);.
What are the key properties of 2-hydroxybenzenecarbothioic S-acid;manganese?
2-hydroxybenzenecarbothioic S-acid;manganese has a molecular weight of 209.13 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzenecarbothioic S-acid;manganese is sourced from PubChem (CID 88742356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).