2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]pyrazine

C12H11BrN2OS — CID 65326391

IUPAC2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]pyrazine
SMILESCOc1ccc(Br)c(CSc2cnccn2)c1
InChIInChI=1S/C12H11BrN2OS/c1-16-10-2-3-11(13)9(6-10)8-17-12-7-14-4-5-15-12/h2-7H,8H2,1H3
InChIKeyIGECIKQWQJSQMP-UHFFFAOYSA-N
MW311.20 g/mol
LogP3.54
Rot. Bonds4

About 2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]pyrazine

2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]pyrazine (PubChem CID 65326391) has the molecular formula C12H11BrN2OS and a molecular weight of 311.20 g/mol. Its IUPAC name is 2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]pyrazine.

Molecular Properties

Compound Name2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]pyrazine
PubChem CID65326391
Molecular FormulaC12H11BrN2OS
Molecular Weight311.20 g/mol
Exact Mass309.98
IUPAC Name2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]pyrazine
SMILESCOc1ccc(Br)c(CSc2cnccn2)c1
InChIInChI=1S/C12H11BrN2OS/c1-16-10-2-3-11(13)9(6-10)8-17-12-7-14-4-5-15-12/h2-7H,8H2,1H3
InChIKeyIGECIKQWQJSQMP-UHFFFAOYSA-N
XLogP3.54
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.20
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-methoxy-2-(pyrazin-2-ylsulfanylmethyl)phenyl]but-3-yn-1-ol
CID 65322768
2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4,6-dimethylpyrimidine
CID 65326097
2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4-methyl-1,3-oxazole
CID 106924339
1-bromo-4-methoxy-2-[(3-methylphenyl)sulfanylmethyl]benzene
CID 65325949
1-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-4-methoxybenzene
CID 65326046
3-[(2-bromo-5-methoxyphenyl)methyl]pyridin-4-amine
CID 65325978
5-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
CID 65322920
1-bromo-2-[(2,5-difluorophenyl)sulfanylmethyl]-4-methoxybenzene
CID 65325800
1-bromo-4-methoxy-2-(3-methylbutan-2-ylsulfanylmethyl)benzene
CID 107754262
1-bromo-4-methoxy-2-[(4-methylsulfonylphenyl)sulfanylmethyl]benzene
CID 65326390
[5-[(2-bromo-5-methoxyphenyl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 65322968
[3-[(2-bromo-5-methoxyphenyl)methylsulfanyl]phenyl]methanol
CID 66346606

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]pyrazine?
The IUPAC name of 2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]pyrazine (CID 65326391) is 2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]pyrazine.
What is the SMILES notation for 2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]pyrazine?
The canonical SMILES for 2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]pyrazine is COc1ccc(Br)c(CSc2cnccn2)c1.
What is the InChIKey of 2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]pyrazine?
The InChIKey is IGECIKQWQJSQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2OS/c1-16-10-2-3-11(13)9(6-10)8-17-12-7-14-4-5-15-12/h2-7H,8H2,1H3.
What are the key properties of 2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]pyrazine?
2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]pyrazine has a molecular weight of 311.20 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-methoxyphenyl)methylsulfanyl]pyrazine is sourced from PubChem (CID 65326391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).