copper;2-hydroxybenzoic acid;methylsulfinylmethane

C9H12CuO4S — CID 70567766

IUPACcopper;2-hydroxybenzoic acid;methylsulfinylmethane
SMILESCS(C)=O.O=C(O)c1ccccc1O.[Cu]
InChIInChI=1S/C7H6O3.C2H6OS.Cu/c8-6-4-2-1-3-5(6)7(9)10;1-4(2)3;/h1-4,8H,(H,9,10);1-2H3;
InChIKeyNNMAYMYIJBPEOQ-UHFFFAOYSA-N
MW279.80 g/mol
LogP1.08
Rot. Bonds1

About copper;2-hydroxybenzoic acid;methylsulfinylmethane

copper;2-hydroxybenzoic acid;methylsulfinylmethane (PubChem CID 70567766) has the molecular formula C9H12CuO4S and a molecular weight of 279.80 g/mol. Its IUPAC name is copper;2-hydroxybenzoic acid;methylsulfinylmethane.

Molecular Properties

Compound Namecopper;2-hydroxybenzoic acid;methylsulfinylmethane
PubChem CID70567766
Molecular FormulaC9H12CuO4S
Molecular Weight279.80 g/mol
Exact Mass278.98
IUPAC Namecopper;2-hydroxybenzoic acid;methylsulfinylmethane
SMILESCS(C)=O.O=C(O)c1ccccc1O.[Cu]
InChIInChI=1S/C7H6O3.C2H6OS.Cu/c8-6-4-2-1-3-5(6)7(9)10;1-4(2)3;/h1-4,8H,(H,9,10);1-2H3;
InChIKeyNNMAYMYIJBPEOQ-UHFFFAOYSA-N
XLogP1.08
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.80
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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bis(2-hydroxybenzoic acid);sulfane
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N,N-dimethylmethanamine;2-hydroxybenzoic acid
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Frequently Asked Questions

What is the IUPAC name of copper;2-hydroxybenzoic acid;methylsulfinylmethane?
The IUPAC name of copper;2-hydroxybenzoic acid;methylsulfinylmethane (CID 70567766) is copper;2-hydroxybenzoic acid;methylsulfinylmethane.
What is the SMILES notation for copper;2-hydroxybenzoic acid;methylsulfinylmethane?
The canonical SMILES for copper;2-hydroxybenzoic acid;methylsulfinylmethane is CS(C)=O.O=C(O)c1ccccc1O.[Cu].
What is the InChIKey of copper;2-hydroxybenzoic acid;methylsulfinylmethane?
The InChIKey is NNMAYMYIJBPEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C2H6OS.Cu/c8-6-4-2-1-3-5(6)7(9)10;1-4(2)3;/h1-4,8H,(H,9,10);1-2H3;.
What are the key properties of copper;2-hydroxybenzoic acid;methylsulfinylmethane?
copper;2-hydroxybenzoic acid;methylsulfinylmethane has a molecular weight of 279.80 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-hydroxybenzoic acid;methylsulfinylmethane is sourced from PubChem (CID 70567766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).