2-chloro-5-(methylsulfanylmethyl)pyrazine

C6H7ClN2S — CID 103055059

IUPAC2-chloro-5-(methylsulfanylmethyl)pyrazine
SMILESCSCc1cnc(Cl)cn1
InChIInChI=1S/C6H7ClN2S/c1-10-4-5-2-9-6(7)3-8-5/h2-3H,4H2,1H3
InChIKeyWMANOTDAEKACHV-UHFFFAOYSA-N
MW174.66 g/mol
LogP1.99
Rot. Bonds2

About 2-chloro-5-(methylsulfanylmethyl)pyrazine

2-chloro-5-(methylsulfanylmethyl)pyrazine (PubChem CID 103055059) has the molecular formula C6H7ClN2S and a molecular weight of 174.66 g/mol. Its IUPAC name is 2-chloro-5-(methylsulfanylmethyl)pyrazine.

Molecular Properties

Compound Name2-chloro-5-(methylsulfanylmethyl)pyrazine
PubChem CID103055059
Molecular FormulaC6H7ClN2S
Molecular Weight174.66 g/mol
Exact Mass174.00
IUPAC Name2-chloro-5-(methylsulfanylmethyl)pyrazine
SMILESCSCc1cnc(Cl)cn1
InChIInChI=1S/C6H7ClN2S/c1-10-4-5-2-9-6(7)3-8-5/h2-3H,4H2,1H3
InChIKeyWMANOTDAEKACHV-UHFFFAOYSA-N
XLogP1.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.66
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(methylsulfanylmethyl)pyrazine?
The IUPAC name of 2-chloro-5-(methylsulfanylmethyl)pyrazine (CID 103055059) is 2-chloro-5-(methylsulfanylmethyl)pyrazine.
What is the SMILES notation for 2-chloro-5-(methylsulfanylmethyl)pyrazine?
The canonical SMILES for 2-chloro-5-(methylsulfanylmethyl)pyrazine is CSCc1cnc(Cl)cn1.
What is the InChIKey of 2-chloro-5-(methylsulfanylmethyl)pyrazine?
The InChIKey is WMANOTDAEKACHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClN2S/c1-10-4-5-2-9-6(7)3-8-5/h2-3H,4H2,1H3.
What are the key properties of 2-chloro-5-(methylsulfanylmethyl)pyrazine?
2-chloro-5-(methylsulfanylmethyl)pyrazine has a molecular weight of 174.66 g/mol, XLogP of 1.99, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(methylsulfanylmethyl)pyrazine is sourced from PubChem (CID 103055059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).