iodo(methylsulfonyl)phosphane

CH4IO2PS — CID 175949620

IUPACiodo(methylsulfonyl)phosphane
SMILESCS(=O)(=O)PI
InChIInChI=1S/CH4IO2PS/c1-6(3,4)5-2/h5H,1H3
InChIKeyYJNBAGZPWCBQRB-UHFFFAOYSA-N
MW237.99 g/mol
LogP0.97
Rot. Bonds1

About iodo(methylsulfonyl)phosphane

iodo(methylsulfonyl)phosphane (PubChem CID 175949620) has the molecular formula CH4IO2PS and a molecular weight of 237.99 g/mol. Its IUPAC name is iodo(methylsulfonyl)phosphane.

Molecular Properties

Compound Nameiodo(methylsulfonyl)phosphane
PubChem CID175949620
Molecular FormulaCH4IO2PS
Molecular Weight237.99 g/mol
Exact Mass237.87
IUPAC Nameiodo(methylsulfonyl)phosphane
SMILESCS(=O)(=O)PI
InChIInChI=1S/CH4IO2PS/c1-6(3,4)5-2/h5H,1H3
InChIKeyYJNBAGZPWCBQRB-UHFFFAOYSA-N
XLogP0.97
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.99
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of iodo(methylsulfonyl)phosphane?
The IUPAC name of iodo(methylsulfonyl)phosphane (CID 175949620) is iodo(methylsulfonyl)phosphane.
What is the SMILES notation for iodo(methylsulfonyl)phosphane?
The canonical SMILES for iodo(methylsulfonyl)phosphane is CS(=O)(=O)PI.
What is the InChIKey of iodo(methylsulfonyl)phosphane?
The InChIKey is YJNBAGZPWCBQRB-UHFFFAOYSA-N. The full InChI is InChI=1S/CH4IO2PS/c1-6(3,4)5-2/h5H,1H3.
What are the key properties of iodo(methylsulfonyl)phosphane?
iodo(methylsulfonyl)phosphane has a molecular weight of 237.99 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodo(methylsulfonyl)phosphane is sourced from PubChem (CID 175949620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).