3-(3-ethylsulfanylpropylsulfanyl)pyrazin-2-amine

C9H15N3S2 — CID 106679257

IUPAC3-(3-ethylsulfanylpropylsulfanyl)pyrazin-2-amine
SMILESCCSCCCSc1nccnc1N
InChIInChI=1S/C9H15N3S2/c1-2-13-6-3-7-14-9-8(10)11-4-5-12-9/h4-5H,2-3,6-7H2,1H3,(H2,10,11)
InChIKeyQSDJLHWETYSYSO-UHFFFAOYSA-N
MW229.37 g/mol
LogP2.29
Rot. Bonds6

About 3-(3-ethylsulfanylpropylsulfanyl)pyrazin-2-amine

3-(3-ethylsulfanylpropylsulfanyl)pyrazin-2-amine (PubChem CID 106679257) has the molecular formula C9H15N3S2 and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-(3-ethylsulfanylpropylsulfanyl)pyrazin-2-amine.

Molecular Properties

Compound Name3-(3-ethylsulfanylpropylsulfanyl)pyrazin-2-amine
PubChem CID106679257
Molecular FormulaC9H15N3S2
Molecular Weight229.37 g/mol
Exact Mass229.07
IUPAC Name3-(3-ethylsulfanylpropylsulfanyl)pyrazin-2-amine
SMILESCCSCCCSc1nccnc1N
InChIInChI=1S/C9H15N3S2/c1-2-13-6-3-7-14-9-8(10)11-4-5-12-9/h4-5H,2-3,6-7H2,1H3,(H2,10,11)
InChIKeyQSDJLHWETYSYSO-UHFFFAOYSA-N
XLogP2.29
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylsulfanylpropylsulfanyl)pyrazin-2-amine?
The IUPAC name of 3-(3-ethylsulfanylpropylsulfanyl)pyrazin-2-amine (CID 106679257) is 3-(3-ethylsulfanylpropylsulfanyl)pyrazin-2-amine.
What is the SMILES notation for 3-(3-ethylsulfanylpropylsulfanyl)pyrazin-2-amine?
The canonical SMILES for 3-(3-ethylsulfanylpropylsulfanyl)pyrazin-2-amine is CCSCCCSc1nccnc1N.
What is the InChIKey of 3-(3-ethylsulfanylpropylsulfanyl)pyrazin-2-amine?
The InChIKey is QSDJLHWETYSYSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3S2/c1-2-13-6-3-7-14-9-8(10)11-4-5-12-9/h4-5H,2-3,6-7H2,1H3,(H2,10,11).
What are the key properties of 3-(3-ethylsulfanylpropylsulfanyl)pyrazin-2-amine?
3-(3-ethylsulfanylpropylsulfanyl)pyrazin-2-amine has a molecular weight of 229.37 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylsulfanylpropylsulfanyl)pyrazin-2-amine is sourced from PubChem (CID 106679257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).