CID 18924051

C3H10O5S2 — CID 18924051

IUPAC—
SMILESC[S+](C)(C)=O.O=S(=O)([O-])O
InChIInChI=1S/C3H9OS.H2O4S/c2*1-5(2,3)4/h1-3H3;(H2,1,2,3,4)/q+1;/p-1
InChIKeyRDVHBXWMOHJTPY-UHFFFAOYSA-M
MW190.24 g/mol
LogP-0.62
Rot. Bonds

About CID 18924051

CID 18924051 (PubChem CID 18924051) has the molecular formula C3H10O5S2 and a molecular weight of 190.24 g/mol.

Molecular Properties

Compound NameCID 18924051
PubChem CID18924051
Molecular FormulaC3H10O5S2
Molecular Weight190.24 g/mol
Exact Mass190.00
IUPAC Name—
SMILESC[S+](C)(C)=O.O=S(=O)([O-])O
InChIInChI=1S/C3H9OS.H2O4S/c2*1-5(2,3)4/h1-3H3;(H2,1,2,3,4)/q+1;/p-1
InChIKeyRDVHBXWMOHJTPY-UHFFFAOYSA-M
XLogP-0.62
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 5-0.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 18924051?
The IUPAC name of CID 18924051 (CID 18924051) is not available.
What is the SMILES notation for CID 18924051?
The canonical SMILES for CID 18924051 is C[S+](C)(C)=O.O=S(=O)([O-])O.
What is the InChIKey of CID 18924051?
The InChIKey is RDVHBXWMOHJTPY-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H9OS.H2O4S/c2*1-5(2,3)4/h1-3H3;(H2,1,2,3,4)/q+1;/p-1.
What are the key properties of CID 18924051?
CID 18924051 has a molecular weight of 190.24 g/mol, XLogP of -0.62, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 18924051 is sourced from PubChem (CID 18924051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).