2-chloro-3-phenylsulfanylpyrazine

C10H7ClN2S — CID 15889671

IUPAC2-chloro-3-phenylsulfanylpyrazine
SMILESClc1nccnc1Sc1ccccc1
InChIInChI=1S/C10H7ClN2S/c11-9-10(13-7-6-12-9)14-8-4-2-1-3-5-8/h1-7H
InChIKeyRYUWXGWHTRPERF-UHFFFAOYSA-N
MW222.70 g/mol
LogP3.28
Rot. Bonds2

About 2-chloro-3-phenylsulfanylpyrazine

2-chloro-3-phenylsulfanylpyrazine (PubChem CID 15889671) has the molecular formula C10H7ClN2S and a molecular weight of 222.70 g/mol. Its IUPAC name is 2-chloro-3-phenylsulfanylpyrazine.

Molecular Properties

Compound Name2-chloro-3-phenylsulfanylpyrazine
PubChem CID15889671
Molecular FormulaC10H7ClN2S
Molecular Weight222.70 g/mol
Exact Mass222.00
IUPAC Name2-chloro-3-phenylsulfanylpyrazine
SMILESClc1nccnc1Sc1ccccc1
InChIInChI=1S/C10H7ClN2S/c11-9-10(13-7-6-12-9)14-8-4-2-1-3-5-8/h1-7H
InChIKeyRYUWXGWHTRPERF-UHFFFAOYSA-N
XLogP3.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.70
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-phenylsulfanylpyrazine?
The IUPAC name of 2-chloro-3-phenylsulfanylpyrazine (CID 15889671) is 2-chloro-3-phenylsulfanylpyrazine.
What is the SMILES notation for 2-chloro-3-phenylsulfanylpyrazine?
The canonical SMILES for 2-chloro-3-phenylsulfanylpyrazine is Clc1nccnc1Sc1ccccc1.
What is the InChIKey of 2-chloro-3-phenylsulfanylpyrazine?
The InChIKey is RYUWXGWHTRPERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2S/c11-9-10(13-7-6-12-9)14-8-4-2-1-3-5-8/h1-7H.
What are the key properties of 2-chloro-3-phenylsulfanylpyrazine?
2-chloro-3-phenylsulfanylpyrazine has a molecular weight of 222.70 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-phenylsulfanylpyrazine is sourced from PubChem (CID 15889671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).