CID 87367407

C3H6O7S2Sr — CID 87367407

IUPAC—
SMILESO=C(CS(=O)(=O)O)CS(=O)(=O)O.[Sr]
InChIInChI=1S/C3H6O7S2.Sr/c4-3(1-11(5,6)7)2-12(8,9)10;/h1-2H2,(H,5,6,7)(H,8,9,10);
InChIKeyPLALEMOPAZEVJE-UHFFFAOYSA-N
MW305.83 g/mol
LogP-2.05
Rot. Bonds4

About CID 87367407

CID 87367407 (PubChem CID 87367407) has the molecular formula C3H6O7S2Sr and a molecular weight of 305.83 g/mol.

Molecular Properties

Compound NameCID 87367407
PubChem CID87367407
Molecular FormulaC3H6O7S2Sr
Molecular Weight305.83 g/mol
Exact Mass305.86
IUPAC Name—
SMILESO=C(CS(=O)(=O)O)CS(=O)(=O)O.[Sr]
InChIInChI=1S/C3H6O7S2.Sr/c4-3(1-11(5,6)7)2-12(8,9)10;/h1-2H2,(H,5,6,7)(H,8,9,10);
InChIKeyPLALEMOPAZEVJE-UHFFFAOYSA-N
XLogP-2.05
TPSA125.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.83
LogP ≤ 5-2.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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CID 58070531
2-fluoroprop-2-ene-1-sulfonic acid
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Frequently Asked Questions

What is the IUPAC name of CID 87367407?
The IUPAC name of CID 87367407 (CID 87367407) is not available.
What is the SMILES notation for CID 87367407?
The canonical SMILES for CID 87367407 is O=C(CS(=O)(=O)O)CS(=O)(=O)O.[Sr].
What is the InChIKey of CID 87367407?
The InChIKey is PLALEMOPAZEVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6O7S2.Sr/c4-3(1-11(5,6)7)2-12(8,9)10;/h1-2H2,(H,5,6,7)(H,8,9,10);.
What are the key properties of CID 87367407?
CID 87367407 has a molecular weight of 305.83 g/mol, XLogP of -2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87367407 is sourced from PubChem (CID 87367407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).