CID 154603745

C4H5OS — CID 154603745

IUPAC—
SMILES[2H]C1C=COC1[S]
InChIInChI=1S/C4H5OS/c6-4-2-1-3-5-4/h1,3-4H,2H2/i2D
InChIKeySKRSZELOUHPQCN-VMNATFBRSA-N
MW102.16 g/mol
LogP1.44
Rot. Bonds

About CID 154603745

CID 154603745 (PubChem CID 154603745) has the molecular formula C4H5OS and a molecular weight of 102.16 g/mol.

Molecular Properties

Compound NameCID 154603745
PubChem CID154603745
Molecular FormulaC4H5OS
Molecular Weight102.16 g/mol
Exact Mass102.01
IUPAC Name—
SMILES[2H]C1C=COC1[S]
InChIInChI=1S/C4H5OS/c6-4-2-1-3-5-4/h1,3-4H,2H2/i2D
InChIKeySKRSZELOUHPQCN-VMNATFBRSA-N
XLogP1.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze CID 154603745 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 154603745?
The IUPAC name of CID 154603745 (CID 154603745) is not available.
What is the SMILES notation for CID 154603745?
The canonical SMILES for CID 154603745 is [2H]C1C=COC1[S].
What is the InChIKey of CID 154603745?
The InChIKey is SKRSZELOUHPQCN-VMNATFBRSA-N. The full InChI is InChI=1S/C4H5OS/c6-4-2-1-3-5-4/h1,3-4H,2H2/i2D.
What are the key properties of CID 154603745?
CID 154603745 has a molecular weight of 102.16 g/mol, XLogP of 1.44, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 154603745 is sourced from PubChem (CID 154603745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).