CID 172854366

C2H4LiO5S — CID 172854366

IUPAC—
SMILESO=S1(=O)OCCOO1.[Li]
InChIInChI=1S/C2H4O5S.Li/c3-8(4)6-2-1-5-7-8;/h1-2H2;
InChIKeyYMOBQUVTZDPYSI-UHFFFAOYSA-N
MW147.06 g/mol
LogP-1.17
Rot. Bonds

About CID 172854366

CID 172854366 (PubChem CID 172854366) has the molecular formula C2H4LiO5S and a molecular weight of 147.06 g/mol.

Molecular Properties

Compound NameCID 172854366
PubChem CID172854366
Molecular FormulaC2H4LiO5S
Molecular Weight147.06 g/mol
Exact Mass146.99
IUPAC Name—
SMILESO=S1(=O)OCCOO1.[Li]
InChIInChI=1S/C2H4O5S.Li/c3-8(4)6-2-1-5-7-8;/h1-2H2;
InChIKeyYMOBQUVTZDPYSI-UHFFFAOYSA-N
XLogP-1.17
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.06
LogP ≤ 5-1.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 172854366?
The IUPAC name of CID 172854366 (CID 172854366) is not available.
What is the SMILES notation for CID 172854366?
The canonical SMILES for CID 172854366 is O=S1(=O)OCCOO1.[Li].
What is the InChIKey of CID 172854366?
The InChIKey is YMOBQUVTZDPYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4O5S.Li/c3-8(4)6-2-1-5-7-8;/h1-2H2;.
What are the key properties of CID 172854366?
CID 172854366 has a molecular weight of 147.06 g/mol, XLogP of -1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172854366 is sourced from PubChem (CID 172854366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).