2-hexylsulfanylpyrazine

C10H16N2S — CID 154366226

IUPAC2-hexylsulfanylpyrazine
SMILESCCCCCCSc1cnccn1
InChIInChI=1S/C10H16N2S/c1-2-3-4-5-8-13-10-9-11-6-7-12-10/h6-7,9H,2-5,8H2,1H3
InChIKeyDRJLGNSINIJQMP-UHFFFAOYSA-N
MW196.32 g/mol
LogP3.15
Rot. Bonds6

About 2-hexylsulfanylpyrazine

2-hexylsulfanylpyrazine (PubChem CID 154366226) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is 2-hexylsulfanylpyrazine.

Molecular Properties

Compound Name2-hexylsulfanylpyrazine
PubChem CID154366226
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC Name2-hexylsulfanylpyrazine
SMILESCCCCCCSc1cnccn1
InChIInChI=1S/C10H16N2S/c1-2-3-4-5-8-13-10-9-11-6-7-12-10/h6-7,9H,2-5,8H2,1H3
InChIKeyDRJLGNSINIJQMP-UHFFFAOYSA-N
XLogP3.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(Methylthio)pyrazine
CID 519907
2-(2-Propen-1-ylthio)pyrazine
CID 3025899
Pyrazine, (ethylthio)-
CID 528051
2-(3-Butenyl-2-thio)pyrazine
CID 9815314
2-(3-Methyl-2-butenylthio)pyrazine
CID 22923305
2-((3-Methyl-3-buten-1-yl)thio)pyrazine
CID 22923308
2,3-Bis(methylthio)pyrazine
CID 54752808
2-Fluoro-3-propylsulfanylpyrazine
CID 85967017
2-(4,4-Difluorobut-3-enylsulfanyl)pyrazine
CID 21850579
2-Propylsulfanylpyrazine
CID 12488726
2,5-Bis(methylsulfanyl)pyrazine
CID 15147585
2-Chloro-3-propylsulfanylpyrazine
CID 61696100

Frequently Asked Questions

What is the IUPAC name of 2-hexylsulfanylpyrazine?
The IUPAC name of 2-hexylsulfanylpyrazine (CID 154366226) is 2-hexylsulfanylpyrazine.
What is the SMILES notation for 2-hexylsulfanylpyrazine?
The canonical SMILES for 2-hexylsulfanylpyrazine is CCCCCCSc1cnccn1.
What is the InChIKey of 2-hexylsulfanylpyrazine?
The InChIKey is DRJLGNSINIJQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-2-3-4-5-8-13-10-9-11-6-7-12-10/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 2-hexylsulfanylpyrazine?
2-hexylsulfanylpyrazine has a molecular weight of 196.32 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexylsulfanylpyrazine is sourced from PubChem (CID 154366226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).