2-(2-iodophenyl)sulfanylpyrazine

C10H7IN2S — CID 14689443

IUPAC2-(2-iodophenyl)sulfanylpyrazine
SMILESIc1ccccc1Sc1cnccn1
InChIInChI=1S/C10H7IN2S/c11-8-3-1-2-4-9(8)14-10-7-12-5-6-13-10/h1-7H
InChIKeyFGTANJGGQMWBKL-UHFFFAOYSA-N
MW314.15 g/mol
LogP3.23
Rot. Bonds2

About 2-(2-iodophenyl)sulfanylpyrazine

2-(2-iodophenyl)sulfanylpyrazine (PubChem CID 14689443) has the molecular formula C10H7IN2S and a molecular weight of 314.15 g/mol. Its IUPAC name is 2-(2-iodophenyl)sulfanylpyrazine.

Molecular Properties

Compound Name2-(2-iodophenyl)sulfanylpyrazine
PubChem CID14689443
Molecular FormulaC10H7IN2S
Molecular Weight314.15 g/mol
Exact Mass313.94
IUPAC Name2-(2-iodophenyl)sulfanylpyrazine
SMILESIc1ccccc1Sc1cnccn1
InChIInChI=1S/C10H7IN2S/c11-8-3-1-2-4-9(8)14-10-7-12-5-6-13-10/h1-7H
InChIKeyFGTANJGGQMWBKL-UHFFFAOYSA-N
XLogP3.23
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.15
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-pyrazin-2-ylsulfanylbenzonitrile
CID 63380568
2-pyrazin-2-ylsulfanylbenzaldehyde
CID 63802069
(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanamine
CID 78943753
(1R)-1-(2-pyrazin-2-ylsulfanylphenyl)ethanol
CID 78951685
2-[[2-(trifluoromethyl)-3-pyridinyl]sulfanyl]pyrazine
CID 154037897
4-pyrazin-2-ylsulfanylnaphthalen-1-ol
CID 112596159
5-iodo-4-pyrazin-2-ylsulfanylpyrimidine
CID 66319398
4-pyrazin-2-ylsulfanyl-1H-pyrazol-5-amine
CID 78943749
5-pyrazin-2-ylsulfanylpyrazin-2-amine
CID 80664326
6-pyrazin-2-ylsulfanylquinolin-5-amine
CID 63380932
1-(2-chloro-6-pyrazin-2-ylsulfanylphenyl)propan-2-amine
CID 63818341
3-methyl-1-phenyl-2-pyrazin-2-ylsulfanylbutan-1-amine
CID 64625617

Frequently Asked Questions

What is the IUPAC name of 2-(2-iodophenyl)sulfanylpyrazine?
The IUPAC name of 2-(2-iodophenyl)sulfanylpyrazine (CID 14689443) is 2-(2-iodophenyl)sulfanylpyrazine.
What is the SMILES notation for 2-(2-iodophenyl)sulfanylpyrazine?
The canonical SMILES for 2-(2-iodophenyl)sulfanylpyrazine is Ic1ccccc1Sc1cnccn1.
What is the InChIKey of 2-(2-iodophenyl)sulfanylpyrazine?
The InChIKey is FGTANJGGQMWBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7IN2S/c11-8-3-1-2-4-9(8)14-10-7-12-5-6-13-10/h1-7H.
What are the key properties of 2-(2-iodophenyl)sulfanylpyrazine?
2-(2-iodophenyl)sulfanylpyrazine has a molecular weight of 314.15 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-iodophenyl)sulfanylpyrazine is sourced from PubChem (CID 14689443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).