4-(2-chlorophenyl)sulfanyl-5-iodopyrimidine

C10H6ClIN2S — CID 66318492

IUPAC4-(2-chlorophenyl)sulfanyl-5-iodopyrimidine
SMILESClc1ccccc1Sc1ncncc1I
InChIInChI=1S/C10H6ClIN2S/c11-7-3-1-2-4-9(7)15-10-8(12)5-13-6-14-10/h1-6H
InChIKeyDVTYVLGJGYDJBL-UHFFFAOYSA-N
MW348.60 g/mol
LogP3.89
Rot. Bonds2

About 4-(2-chlorophenyl)sulfanyl-5-iodopyrimidine

4-(2-chlorophenyl)sulfanyl-5-iodopyrimidine (PubChem CID 66318492) has the molecular formula C10H6ClIN2S and a molecular weight of 348.60 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfanyl-5-iodopyrimidine.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfanyl-5-iodopyrimidine
PubChem CID66318492
Molecular FormulaC10H6ClIN2S
Molecular Weight348.60 g/mol
Exact Mass347.90
IUPAC Name4-(2-chlorophenyl)sulfanyl-5-iodopyrimidine
SMILESClc1ccccc1Sc1ncncc1I
InChIInChI=1S/C10H6ClIN2S/c11-7-3-1-2-4-9(7)15-10-8(12)5-13-6-14-10/h1-6H
InChIKeyDVTYVLGJGYDJBL-UHFFFAOYSA-N
XLogP3.89
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.60
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)sulfanyl-5-iodopyrimidine?
The IUPAC name of 4-(2-chlorophenyl)sulfanyl-5-iodopyrimidine (CID 66318492) is 4-(2-chlorophenyl)sulfanyl-5-iodopyrimidine.
What is the SMILES notation for 4-(2-chlorophenyl)sulfanyl-5-iodopyrimidine?
The canonical SMILES for 4-(2-chlorophenyl)sulfanyl-5-iodopyrimidine is Clc1ccccc1Sc1ncncc1I.
What is the InChIKey of 4-(2-chlorophenyl)sulfanyl-5-iodopyrimidine?
The InChIKey is DVTYVLGJGYDJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClIN2S/c11-7-3-1-2-4-9(7)15-10-8(12)5-13-6-14-10/h1-6H.
What are the key properties of 4-(2-chlorophenyl)sulfanyl-5-iodopyrimidine?
4-(2-chlorophenyl)sulfanyl-5-iodopyrimidine has a molecular weight of 348.60 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfanyl-5-iodopyrimidine is sourced from PubChem (CID 66318492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).