CID 72639673

C2H5O2S — CID 72639673

IUPAC—
SMILESCC[S](=O)=O
InChIInChI=1S/C2H5O2S/c1-2-5(3)4/h2H2,1H3
InChIKeyZFADORHFWXBROA-UHFFFAOYSA-N
MW93.13 g/mol
LogP-0.11
Rot. Bonds1

About CID 72639673

CID 72639673 (PubChem CID 72639673) has the molecular formula C2H5O2S and a molecular weight of 93.13 g/mol.

Molecular Properties

Compound NameCID 72639673
PubChem CID72639673
Molecular FormulaC2H5O2S
Molecular Weight93.13 g/mol
Exact Mass93.00
IUPAC Name—
SMILESCC[S](=O)=O
InChIInChI=1S/C2H5O2S/c1-2-5(3)4/h2H2,1H3
InChIKeyZFADORHFWXBROA-UHFFFAOYSA-N
XLogP-0.11
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 5-0.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 72639673 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 72639673?
The IUPAC name of CID 72639673 (CID 72639673) is not available.
What is the SMILES notation for CID 72639673?
The canonical SMILES for CID 72639673 is CC[S](=O)=O.
What is the InChIKey of CID 72639673?
The InChIKey is ZFADORHFWXBROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5O2S/c1-2-5(3)4/h2H2,1H3.
What are the key properties of CID 72639673?
CID 72639673 has a molecular weight of 93.13 g/mol, XLogP of -0.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 72639673 is sourced from PubChem (CID 72639673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).