methylsulfanyl carboniodidate

C2H3IO2S — CID 131727376

IUPACmethylsulfanyl carboniodidate
SMILESCSOC(=O)I
InChIInChI=1S/C2H3IO2S/c1-6-5-2(3)4/h1H3
InChIKeyCHRSAQUERVBRLA-UHFFFAOYSA-N
MW218.01 g/mol
LogP1.84
Rot. Bonds1

About methylsulfanyl carboniodidate

methylsulfanyl carboniodidate (PubChem CID 131727376) has the molecular formula C2H3IO2S and a molecular weight of 218.01 g/mol. Its IUPAC name is methylsulfanyl carboniodidate.

Molecular Properties

Compound Namemethylsulfanyl carboniodidate
PubChem CID131727376
Molecular FormulaC2H3IO2S
Molecular Weight218.01 g/mol
Exact Mass217.89
IUPAC Namemethylsulfanyl carboniodidate
SMILESCSOC(=O)I
InChIInChI=1S/C2H3IO2S/c1-6-5-2(3)4/h1H3
InChIKeyCHRSAQUERVBRLA-UHFFFAOYSA-N
XLogP1.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.01
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methylsulfanyl carboniodidate?
The IUPAC name of methylsulfanyl carboniodidate (CID 131727376) is methylsulfanyl carboniodidate.
What is the SMILES notation for methylsulfanyl carboniodidate?
The canonical SMILES for methylsulfanyl carboniodidate is CSOC(=O)I.
What is the InChIKey of methylsulfanyl carboniodidate?
The InChIKey is CHRSAQUERVBRLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H3IO2S/c1-6-5-2(3)4/h1H3.
What are the key properties of methylsulfanyl carboniodidate?
methylsulfanyl carboniodidate has a molecular weight of 218.01 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylsulfanyl carboniodidate is sourced from PubChem (CID 131727376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).