O-phenyl iodomethanethioate

C7H5IOS — CID 145496288

IUPACO-phenyl iodomethanethioate
SMILESS=C(I)Oc1ccccc1
InChIInChI=1S/C7H5IOS/c8-7(10)9-6-4-2-1-3-5-6/h1-5H
InChIKeyPQCLUEYPPGIUSZ-UHFFFAOYSA-N
MW264.09 g/mol
LogP2.79
Rot. Bonds1

About O-phenyl iodomethanethioate

O-phenyl iodomethanethioate (PubChem CID 145496288) has the molecular formula C7H5IOS and a molecular weight of 264.09 g/mol. Its IUPAC name is O-phenyl iodomethanethioate.

Molecular Properties

Compound NameO-phenyl iodomethanethioate
PubChem CID145496288
Molecular FormulaC7H5IOS
Molecular Weight264.09 g/mol
Exact Mass263.91
IUPAC NameO-phenyl iodomethanethioate
SMILESS=C(I)Oc1ccccc1
InChIInChI=1S/C7H5IOS/c8-7(10)9-6-4-2-1-3-5-6/h1-5H
InChIKeyPQCLUEYPPGIUSZ-UHFFFAOYSA-N
XLogP2.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.09
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

phenyl 2-iodoprop-2-enoate
CID 71551534
O-phenyl N,N-dimethylcarbamothioate;propane
CID 145493124
O-phenyl 2-fluoropropanethioate
CID 87720516
diphenyl carbonate;ethane;molecular iodine
CID 159087497
O-phenyl N-(aminomethyl)carbamothioate
CID 174929388
O-phenoxycarbonyl chloromethanethioate
CID 150306756
phenyl N-sulfanylidenecarbamate
CID 13221372
diphenyl oxalate;ethane
CID 162013592
(E)-1-phenoxyprop-1-en-1-ol
CID 21243991
aminothiourea;phenyl carbamate
CID 174929265
2-(2-phenoxy-2-sulfanylideneethoxy)acetic acid
CID 150690541
phenyl hydrogen carbonate;sulfur dioxide
CID 67864453

Frequently Asked Questions

What is the IUPAC name of O-phenyl iodomethanethioate?
The IUPAC name of O-phenyl iodomethanethioate (CID 145496288) is O-phenyl iodomethanethioate.
What is the SMILES notation for O-phenyl iodomethanethioate?
The canonical SMILES for O-phenyl iodomethanethioate is S=C(I)Oc1ccccc1.
What is the InChIKey of O-phenyl iodomethanethioate?
The InChIKey is PQCLUEYPPGIUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5IOS/c8-7(10)9-6-4-2-1-3-5-6/h1-5H.
What are the key properties of O-phenyl iodomethanethioate?
O-phenyl iodomethanethioate has a molecular weight of 264.09 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-phenyl iodomethanethioate is sourced from PubChem (CID 145496288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).