2-[(5-bromothiophen-2-yl)methylsulfanyl]pyrazine

C9H7BrN2S2 — CID 63458979

IUPAC2-[(5-bromothiophen-2-yl)methylsulfanyl]pyrazine
SMILESBrc1ccc(CSc2cnccn2)s1
InChIInChI=1S/C9H7BrN2S2/c10-8-2-1-7(14-8)6-13-9-5-11-3-4-12-9/h1-5H,6H2
InChIKeyNHKUFGQILLQVQT-UHFFFAOYSA-N
MW287.21 g/mol
LogP3.59
Rot. Bonds3

About 2-[(5-bromothiophen-2-yl)methylsulfanyl]pyrazine

2-[(5-bromothiophen-2-yl)methylsulfanyl]pyrazine (PubChem CID 63458979) has the molecular formula C9H7BrN2S2 and a molecular weight of 287.21 g/mol. Its IUPAC name is 2-[(5-bromothiophen-2-yl)methylsulfanyl]pyrazine.

Molecular Properties

Compound Name2-[(5-bromothiophen-2-yl)methylsulfanyl]pyrazine
PubChem CID63458979
Molecular FormulaC9H7BrN2S2
Molecular Weight287.21 g/mol
Exact Mass285.92
IUPAC Name2-[(5-bromothiophen-2-yl)methylsulfanyl]pyrazine
SMILESBrc1ccc(CSc2cnccn2)s1
InChIInChI=1S/C9H7BrN2S2/c10-8-2-1-7(14-8)6-13-9-5-11-3-4-12-9/h1-5H,6H2
InChIKeyNHKUFGQILLQVQT-UHFFFAOYSA-N
XLogP3.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromothiophen-2-yl)methylsulfanyl]pyrazine?
The IUPAC name of 2-[(5-bromothiophen-2-yl)methylsulfanyl]pyrazine (CID 63458979) is 2-[(5-bromothiophen-2-yl)methylsulfanyl]pyrazine.
What is the SMILES notation for 2-[(5-bromothiophen-2-yl)methylsulfanyl]pyrazine?
The canonical SMILES for 2-[(5-bromothiophen-2-yl)methylsulfanyl]pyrazine is Brc1ccc(CSc2cnccn2)s1.
What is the InChIKey of 2-[(5-bromothiophen-2-yl)methylsulfanyl]pyrazine?
The InChIKey is NHKUFGQILLQVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2S2/c10-8-2-1-7(14-8)6-13-9-5-11-3-4-12-9/h1-5H,6H2.
What are the key properties of 2-[(5-bromothiophen-2-yl)methylsulfanyl]pyrazine?
2-[(5-bromothiophen-2-yl)methylsulfanyl]pyrazine has a molecular weight of 287.21 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromothiophen-2-yl)methylsulfanyl]pyrazine is sourced from PubChem (CID 63458979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).