actinium;3-(dihydroxymethyl)benzenesulfonyl chloride

C7H7Ac2ClO4S — CID 58779273

IUPACactinium;3-(dihydroxymethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(C(O)O)c1.[Ac].[Ac]
InChIInChI=1S/C7H7ClO4S.2Ac/c8-13(11,12)6-3-1-2-5(4-6)7(9)10;;/h1-4,7,9-10H;;
InChIKeySRNXGHRORVNYIC-UHFFFAOYSA-N
MW676.65 g/mol
LogP0.60
Rot. Bonds2

About actinium;3-(dihydroxymethyl)benzenesulfonyl chloride

actinium;3-(dihydroxymethyl)benzenesulfonyl chloride (PubChem CID 58779273) has the molecular formula C7H7Ac2ClO4S and a molecular weight of 676.65 g/mol. Its IUPAC name is actinium;3-(dihydroxymethyl)benzenesulfonyl chloride.

Molecular Properties

Compound Nameactinium;3-(dihydroxymethyl)benzenesulfonyl chloride
PubChem CID58779273
Molecular FormulaC7H7Ac2ClO4S
Molecular Weight676.65 g/mol
Exact Mass676.03
IUPAC Nameactinium;3-(dihydroxymethyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1cccc(C(O)O)c1.[Ac].[Ac]
InChIInChI=1S/C7H7ClO4S.2Ac/c8-13(11,12)6-3-1-2-5(4-6)7(9)10;;/h1-4,7,9-10H;;
InChIKeySRNXGHRORVNYIC-UHFFFAOYSA-N
XLogP0.60
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500676.65
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of actinium;3-(dihydroxymethyl)benzenesulfonyl chloride?
The IUPAC name of actinium;3-(dihydroxymethyl)benzenesulfonyl chloride (CID 58779273) is actinium;3-(dihydroxymethyl)benzenesulfonyl chloride.
What is the SMILES notation for actinium;3-(dihydroxymethyl)benzenesulfonyl chloride?
The canonical SMILES for actinium;3-(dihydroxymethyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1cccc(C(O)O)c1.[Ac].[Ac].
What is the InChIKey of actinium;3-(dihydroxymethyl)benzenesulfonyl chloride?
The InChIKey is SRNXGHRORVNYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO4S.2Ac/c8-13(11,12)6-3-1-2-5(4-6)7(9)10;;/h1-4,7,9-10H;;.
What are the key properties of actinium;3-(dihydroxymethyl)benzenesulfonyl chloride?
actinium;3-(dihydroxymethyl)benzenesulfonyl chloride has a molecular weight of 676.65 g/mol, XLogP of 0.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;3-(dihydroxymethyl)benzenesulfonyl chloride is sourced from PubChem (CID 58779273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).