2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]pyrazine

C12H11ClN2OS — CID 164876763

IUPAC2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]pyrazine
SMILESCOc1ccc(CSc2cncc(Cl)n2)cc1
InChIInChI=1S/C12H11ClN2OS/c1-16-10-4-2-9(3-5-10)8-17-12-7-14-6-11(13)15-12/h2-7H,8H2,1H3
InChIKeyYIJNPPJYRAKMMA-UHFFFAOYSA-N
MW266.75 g/mol
LogP3.43
Rot. Bonds4

About 2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]pyrazine

2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]pyrazine (PubChem CID 164876763) has the molecular formula C12H11ClN2OS and a molecular weight of 266.75 g/mol. Its IUPAC name is 2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]pyrazine.

Molecular Properties

Compound Name2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]pyrazine
PubChem CID164876763
Molecular FormulaC12H11ClN2OS
Molecular Weight266.75 g/mol
Exact Mass266.03
IUPAC Name2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]pyrazine
SMILESCOc1ccc(CSc2cncc(Cl)n2)cc1
InChIInChI=1S/C12H11ClN2OS/c1-16-10-4-2-9(3-5-10)8-17-12-7-14-6-11(13)15-12/h2-7H,8H2,1H3
InChIKeyYIJNPPJYRAKMMA-UHFFFAOYSA-N
XLogP3.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.75
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine
CID 43260496
2-[(4-methoxyphenyl)methylsulfanyl]pyridine-4-carboxylic acid
CID 61300099
(1S)-2-[(6-benzylsulfanylpyrazin-2-yl)amino]-1-(4-methoxyphenyl)ethanol
CID 99816123
(Z)-2-[5-[(4-methoxyphenyl)methylsulfanyl]pyrimidin-2-yl]ethenamine
CID 168898446
1-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylsulfanyl]-2-methylimidazole
CID 167320879
2-[5-[(4-methoxyphenyl)methylsulfanyl]pyrimidin-2-yl]ethenamine
CID 174076896
3,6-dimethoxy-4-[(4-methoxyphenyl)methylsulfanyl]pyridazine
CID 168898782
2-methoxy-3-[(4-methoxyphenyl)methylsulfanyl]pyrazine
CID 10038347
N-(4-methoxyphenyl)-4-(2H-triazol-4-ylsulfanylmethyl)benzamide
CID 6401122
[5-[(4-methoxyphenyl)methylsulfanyl]-2-pyridinyl]methanol
CID 175134378
6-chloro-N-[2-(4-methoxyphenoxy)propyl]pyrazin-2-amine
CID 133323999
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine
CID 22607567

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]pyrazine?
The IUPAC name of 2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]pyrazine (CID 164876763) is 2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]pyrazine.
What is the SMILES notation for 2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]pyrazine?
The canonical SMILES for 2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]pyrazine is COc1ccc(CSc2cncc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]pyrazine?
The InChIKey is YIJNPPJYRAKMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2OS/c1-16-10-4-2-9(3-5-10)8-17-12-7-14-6-11(13)15-12/h2-7H,8H2,1H3.
What are the key properties of 2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]pyrazine?
2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]pyrazine has a molecular weight of 266.75 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]pyrazine is sourced from PubChem (CID 164876763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).