2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]pyrazine

C13H13ClN2S — CID 103055013

IUPAC2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]pyrazine
SMILESCc1ccc(SCc2cnc(Cl)cn2)c(C)c1
InChIInChI=1S/C13H13ClN2S/c1-9-3-4-12(10(2)5-9)17-8-11-6-16-13(14)7-15-11/h3-7H,8H2,1-2H3
InChIKeyCRZOOZVZPSTUBD-UHFFFAOYSA-N
MW264.78 g/mol
LogP4.04
Rot. Bonds3

About 2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]pyrazine

2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]pyrazine (PubChem CID 103055013) has the molecular formula C13H13ClN2S and a molecular weight of 264.78 g/mol. Its IUPAC name is 2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]pyrazine.

Molecular Properties

Compound Name2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]pyrazine
PubChem CID103055013
Molecular FormulaC13H13ClN2S
Molecular Weight264.78 g/mol
Exact Mass264.05
IUPAC Name2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]pyrazine
SMILESCc1ccc(SCc2cnc(Cl)cn2)c(C)c1
InChIInChI=1S/C13H13ClN2S/c1-9-3-4-12(10(2)5-9)17-8-11-6-16-13(14)7-15-11/h3-7H,8H2,1-2H3
InChIKeyCRZOOZVZPSTUBD-UHFFFAOYSA-N
XLogP4.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.78
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-[(2,4-dimethylphenyl)sulfanylmethyl]pyridine
CID 79244809
3-chloro-4-[(5-chloropyrazin-2-yl)methylsulfanyl]aniline
CID 103054963
4-bromo-2-[(5-chloropyrazin-2-yl)methylsulfanyl]aniline
CID 103054991
2-chloro-6-[(2,5-dimethylphenyl)sulfanylmethyl]pyridine
CID 79040235
[4-[(2,4-dimethylphenyl)sulfanylmethyl]phenyl]-trimethylsilane
CID 103438735
1-(2-chloroprop-2-enylsulfanyl)-2,4-dimethylbenzene
CID 130670153
2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]aniline
CID 43350016
2-chloro-5-[(2-fluoro-5-methylphenoxy)methyl]pyrazine
CID 103054875
4-[(2,4-dimethylphenyl)sulfanylmethyl]pyrimidine-5-carboxylic acid
CID 102973740
5-[(2,4-dimethylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 63484975
2-[(5-chloropyrazin-2-yl)methylsulfanyl]-5-methylsulfanyl-1,3,4-thiadiazole
CID 103055112
2-[(2-tert-butyl-4-methylphenoxy)methyl]-5-chloropyrazine
CID 103054684

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]pyrazine?
The IUPAC name of 2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]pyrazine (CID 103055013) is 2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]pyrazine.
What is the SMILES notation for 2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]pyrazine?
The canonical SMILES for 2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]pyrazine is Cc1ccc(SCc2cnc(Cl)cn2)c(C)c1.
What is the InChIKey of 2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]pyrazine?
The InChIKey is CRZOOZVZPSTUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2S/c1-9-3-4-12(10(2)5-9)17-8-11-6-16-13(14)7-15-11/h3-7H,8H2,1-2H3.
What are the key properties of 2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]pyrazine?
2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]pyrazine has a molecular weight of 264.78 g/mol, XLogP of 4.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2,4-dimethylphenyl)sulfanylmethyl]pyrazine is sourced from PubChem (CID 103055013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).