2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine

C11H9ClN2OS — CID 43260496

IUPAC2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine
SMILESCOc1ccc(Sc2cncc(Cl)n2)cc1
InChIInChI=1S/C11H9ClN2OS/c1-15-8-2-4-9(5-3-8)16-11-7-13-6-10(12)14-11/h2-7H,1H3
InChIKeyKPBZPRSJMVITRY-UHFFFAOYSA-N
MW252.73 g/mol
LogP3.29
Rot. Bonds3

About 2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine

2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine (PubChem CID 43260496) has the molecular formula C11H9ClN2OS and a molecular weight of 252.73 g/mol. Its IUPAC name is 2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine.

Molecular Properties

Compound Name2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine
PubChem CID43260496
Molecular FormulaC11H9ClN2OS
Molecular Weight252.73 g/mol
Exact Mass252.01
IUPAC Name2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine
SMILESCOc1ccc(Sc2cncc(Cl)n2)cc1
InChIInChI=1S/C11H9ClN2OS/c1-15-8-2-4-9(5-3-8)16-11-7-13-6-10(12)14-11/h2-7H,1H3
InChIKeyKPBZPRSJMVITRY-UHFFFAOYSA-N
XLogP3.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.73
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(4-methylphenyl)sulfanylpyrazine
CID 43213384
methyl 6-(4-methoxyphenyl)sulfanylpyrazine-2-carboxylate
CID 66449986
2-chloro-6-[(4-methoxyphenyl)methylsulfanyl]pyrazine
CID 164876763
N-[4-(6-chloropyrazin-2-yl)sulfanylphenyl]acetamide
CID 43213387
4-chloro-6-(4-methoxyphenyl)sulfanylpyrimidine
CID 61280001
4-chloro-6-(4-methoxyphenyl)sulfanyl-2-methylsulfanylpyrimidine
CID 1488149
methyl 6-(4-chlorophenyl)sulfanylpyrazine-2-carboxylate
CID 66452135
2-chloro-6-(2-fluorophenyl)sulfanylpyrazine
CID 43260478
6-(3-methoxyphenyl)sulfanylpyrazine-2-carbonitrile
CID 86072604
6-(3-methoxyphenyl)sulfanylpyrazin-2-amine
CID 80646798
6-(3-methoxyphenyl)sulfanyl-N-methylpyrazin-2-amine
CID 80884185
2-chloro-6-(4-fluoro-3-methoxyphenoxy)pyrazine
CID 146289892

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine?
The IUPAC name of 2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine (CID 43260496) is 2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine.
What is the SMILES notation for 2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine?
The canonical SMILES for 2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine is COc1ccc(Sc2cncc(Cl)n2)cc1.
What is the InChIKey of 2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine?
The InChIKey is KPBZPRSJMVITRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2OS/c1-15-8-2-4-9(5-3-8)16-11-7-13-6-10(12)14-11/h2-7H,1H3.
What are the key properties of 2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine?
2-chloro-6-(4-methoxyphenyl)sulfanylpyrazine has a molecular weight of 252.73 g/mol, XLogP of 3.29, 3 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)sulfanylpyrazine is sourced from PubChem (CID 43260496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).