cobalt;bis(2-methylsulfanylphenol);dihydrate

C14H20CoO4S2 — CID 70522952

IUPACcobalt;bis(2-methylsulfanylphenol);dihydrate
SMILESCSc1ccccc1O.CSc1ccccc1O.O.O.[Co]
InChIInChI=1S/2C7H8OS.Co.2H2O/c2*1-9-7-5-3-2-4-6(7)8;;;/h2*2-5,8H,1H3;;2*1H2
InChIKeyULRBNEQHUFCRMQ-UHFFFAOYSA-N
MW375.38 g/mol
LogP2.58
Rot. Bonds2

About cobalt;bis(2-methylsulfanylphenol);dihydrate

cobalt;bis(2-methylsulfanylphenol);dihydrate (PubChem CID 70522952) has the molecular formula C14H20CoO4S2 and a molecular weight of 375.38 g/mol. Its IUPAC name is cobalt;bis(2-methylsulfanylphenol);dihydrate.

Molecular Properties

Compound Namecobalt;bis(2-methylsulfanylphenol);dihydrate
PubChem CID70522952
Molecular FormulaC14H20CoO4S2
Molecular Weight375.38 g/mol
Exact Mass375.01
IUPAC Namecobalt;bis(2-methylsulfanylphenol);dihydrate
SMILESCSc1ccccc1O.CSc1ccccc1O.O.O.[Co]
InChIInChI=1S/2C7H8OS.Co.2H2O/c2*1-9-7-5-3-2-4-6(7)8;;;/h2*2-5,8H,1H3;;2*1H2
InChIKeyULRBNEQHUFCRMQ-UHFFFAOYSA-N
XLogP2.58
TPSA103.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of cobalt;bis(2-methylsulfanylphenol);dihydrate?
The IUPAC name of cobalt;bis(2-methylsulfanylphenol);dihydrate (CID 70522952) is cobalt;bis(2-methylsulfanylphenol);dihydrate.
What is the SMILES notation for cobalt;bis(2-methylsulfanylphenol);dihydrate?
The canonical SMILES for cobalt;bis(2-methylsulfanylphenol);dihydrate is CSc1ccccc1O.CSc1ccccc1O.O.O.[Co].
What is the InChIKey of cobalt;bis(2-methylsulfanylphenol);dihydrate?
The InChIKey is ULRBNEQHUFCRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8OS.Co.2H2O/c2*1-9-7-5-3-2-4-6(7)8;;;/h2*2-5,8H,1H3;;2*1H2.
What are the key properties of cobalt;bis(2-methylsulfanylphenol);dihydrate?
cobalt;bis(2-methylsulfanylphenol);dihydrate has a molecular weight of 375.38 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cobalt;bis(2-methylsulfanylphenol);dihydrate is sourced from PubChem (CID 70522952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).