2-methyl-5-(phosphorosooxymethyl)thiophene

C6H7O2PS — CID 69098065

IUPAC2-methyl-5-(phosphorosooxymethyl)thiophene
SMILESCc1ccc(COP=O)s1
InChIInChI=1S/C6H7O2PS/c1-5-2-3-6(10-5)4-8-9-7/h2-3H,4H2,1H3
InChIKeyRRGLPVSNDZZSPJ-UHFFFAOYSA-N
MW174.16 g/mol
LogP2.78
Rot. Bonds3

About 2-methyl-5-(phosphorosooxymethyl)thiophene

2-methyl-5-(phosphorosooxymethyl)thiophene (PubChem CID 69098065) has the molecular formula C6H7O2PS and a molecular weight of 174.16 g/mol. Its IUPAC name is 2-methyl-5-(phosphorosooxymethyl)thiophene.

Molecular Properties

Compound Name2-methyl-5-(phosphorosooxymethyl)thiophene
PubChem CID69098065
Molecular FormulaC6H7O2PS
Molecular Weight174.16 g/mol
Exact Mass173.99
IUPAC Name2-methyl-5-(phosphorosooxymethyl)thiophene
SMILESCc1ccc(COP=O)s1
InChIInChI=1S/C6H7O2PS/c1-5-2-3-6(10-5)4-8-9-7/h2-3H,4H2,1H3
InChIKeyRRGLPVSNDZZSPJ-UHFFFAOYSA-N
XLogP2.78
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(phosphorosooxymethyl)thiophene?
The IUPAC name of 2-methyl-5-(phosphorosooxymethyl)thiophene (CID 69098065) is 2-methyl-5-(phosphorosooxymethyl)thiophene.
What is the SMILES notation for 2-methyl-5-(phosphorosooxymethyl)thiophene?
The canonical SMILES for 2-methyl-5-(phosphorosooxymethyl)thiophene is Cc1ccc(COP=O)s1.
What is the InChIKey of 2-methyl-5-(phosphorosooxymethyl)thiophene?
The InChIKey is RRGLPVSNDZZSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7O2PS/c1-5-2-3-6(10-5)4-8-9-7/h2-3H,4H2,1H3.
What are the key properties of 2-methyl-5-(phosphorosooxymethyl)thiophene?
2-methyl-5-(phosphorosooxymethyl)thiophene has a molecular weight of 174.16 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(phosphorosooxymethyl)thiophene is sourced from PubChem (CID 69098065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).