3-dimethylphosphorylthiophene

C6H9OPS — CID 122416905

IUPAC3-dimethylphosphorylthiophene
SMILESCP(C)(=O)c1ccsc1
InChIInChI=1S/C6H9OPS/c1-8(2,7)6-3-4-9-5-6/h3-5H,1-2H3
InChIKeyOCOBNDAVPLPRMQ-UHFFFAOYSA-N
MW160.18 g/mol
LogP2.00
Rot. Bonds1

About 3-dimethylphosphorylthiophene

3-dimethylphosphorylthiophene (PubChem CID 122416905) has the molecular formula C6H9OPS and a molecular weight of 160.18 g/mol. Its IUPAC name is 3-dimethylphosphorylthiophene.

Molecular Properties

Compound Name3-dimethylphosphorylthiophene
PubChem CID122416905
Molecular FormulaC6H9OPS
Molecular Weight160.18 g/mol
Exact Mass160.01
IUPAC Name3-dimethylphosphorylthiophene
SMILESCP(C)(=O)c1ccsc1
InChIInChI=1S/C6H9OPS/c1-8(2,7)6-3-4-9-5-6/h3-5H,1-2H3
InChIKeyOCOBNDAVPLPRMQ-UHFFFAOYSA-N
XLogP2.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-dimethylphosphorylthiophene?
The IUPAC name of 3-dimethylphosphorylthiophene (CID 122416905) is 3-dimethylphosphorylthiophene.
What is the SMILES notation for 3-dimethylphosphorylthiophene?
The canonical SMILES for 3-dimethylphosphorylthiophene is CP(C)(=O)c1ccsc1.
What is the InChIKey of 3-dimethylphosphorylthiophene?
The InChIKey is OCOBNDAVPLPRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9OPS/c1-8(2,7)6-3-4-9-5-6/h3-5H,1-2H3.
What are the key properties of 3-dimethylphosphorylthiophene?
3-dimethylphosphorylthiophene has a molecular weight of 160.18 g/mol, XLogP of 2.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethylphosphorylthiophene is sourced from PubChem (CID 122416905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).