CID 13077264

C4H7OS — CID 13077264

IUPAC—
SMILES[CH]1OCCCS1
InChIInChI=1S/C4H7OS/c1-2-5-4-6-3-1/h4H,1-3H2
InChIKeyBFTCBRDXIOOJJN-UHFFFAOYSA-N
MW103.17 g/mol
LogP1.26
Rot. Bonds

About CID 13077264

CID 13077264 (PubChem CID 13077264) has the molecular formula C4H7OS and a molecular weight of 103.17 g/mol.

Molecular Properties

Compound NameCID 13077264
PubChem CID13077264
Molecular FormulaC4H7OS
Molecular Weight103.17 g/mol
Exact Mass103.02
IUPAC Name—
SMILES[CH]1OCCCS1
InChIInChI=1S/C4H7OS/c1-2-5-4-6-3-1/h4H,1-3H2
InChIKeyBFTCBRDXIOOJJN-UHFFFAOYSA-N
XLogP1.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.17
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze CID 13077264 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 13077264?
The IUPAC name of CID 13077264 (CID 13077264) is not available.
What is the SMILES notation for CID 13077264?
The canonical SMILES for CID 13077264 is [CH]1OCCCS1.
What is the InChIKey of CID 13077264?
The InChIKey is BFTCBRDXIOOJJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7OS/c1-2-5-4-6-3-1/h4H,1-3H2.
What are the key properties of CID 13077264?
CID 13077264 has a molecular weight of 103.17 g/mol, XLogP of 1.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 13077264 is sourced from PubChem (CID 13077264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).