ethane;2-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]pyrazine;propane

C14H24N2S — CID 143067711

IUPACethane;2-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]pyrazine;propane
SMILESC=C/C=C(\SC)c1cnccn1.CC.CCC
InChIInChI=1S/C9H10N2S.C3H8.C2H6/c1-3-4-9(12-2)8-7-10-5-6-11-8;1-3-2;1-2/h3-7H,1H2,2H3;3H2,1-2H3;1-2H3/b9-4-;;
InChIKeyXERAHFMKEPVNRA-FPAIPBCFSA-N
MW252.43 g/mol
LogP4.81
Rot. Bonds3

About ethane;2-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]pyrazine;propane

ethane;2-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]pyrazine;propane (PubChem CID 143067711) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is ethane;2-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]pyrazine;propane.

Molecular Properties

Compound Nameethane;2-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]pyrazine;propane
PubChem CID143067711
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Nameethane;2-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]pyrazine;propane
SMILESC=C/C=C(\SC)c1cnccn1.CC.CCC
InChIInChI=1S/C9H10N2S.C3H8.C2H6/c1-3-4-9(12-2)8-7-10-5-6-11-8;1-3-2;1-2/h3-7H,1H2,2H3;3H2,1-2H3;1-2H3/b9-4-;;
InChIKeyXERAHFMKEPVNRA-FPAIPBCFSA-N
XLogP4.81
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-2-hydroxy-1-pyrazin-2-ylbutan-1-one
CID 103447153
2-[(E)-1-chloroprop-1-en-2-yl]pyrazine
CID 154700299
N-[(Z)-3-ethylpent-1-enyl]-2-pyrazin-2-ylprop-2-en-1-imine
CID 139514724
pyrazine-2-carbothioic S-acid
CID 87249006
2-(1-iodoethenyl)pyrazine
CID 122605916
2-(3-methoxyprop-1-en-2-yl)pyrazine
CID 67622452
N,3,3-triethyl-5-pyrazin-2-ylhex-5-en-1-amine
CID 170210088
2-(aminomethyl)-2-ethyl-1-pyrazin-2-ylbutan-1-one
CID 116603866
3-methyl-1-pyrazin-2-ylbut-3-en-1-one
CID 79177346
ethyl pyrazine-2-carboxylate;dihydrochloride
CID 141471889
S-(4,6-dimethylpyrimidin-2-yl) pyrazine-2-carbothioate
CID 4643023
2-amino-1-pyrazin-2-ylpent-4-en-1-one
CID 116606989

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]pyrazine;propane?
The IUPAC name of ethane;2-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]pyrazine;propane (CID 143067711) is ethane;2-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]pyrazine;propane.
What is the SMILES notation for ethane;2-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]pyrazine;propane?
The canonical SMILES for ethane;2-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]pyrazine;propane is C=C/C=C(\SC)c1cnccn1.CC.CCC.
What is the InChIKey of ethane;2-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]pyrazine;propane?
The InChIKey is XERAHFMKEPVNRA-FPAIPBCFSA-N. The full InChI is InChI=1S/C9H10N2S.C3H8.C2H6/c1-3-4-9(12-2)8-7-10-5-6-11-8;1-3-2;1-2/h3-7H,1H2,2H3;3H2,1-2H3;1-2H3/b9-4-;;.
What are the key properties of ethane;2-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]pyrazine;propane?
ethane;2-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]pyrazine;propane has a molecular weight of 252.43 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(1Z)-1-methylsulfanylbuta-1,3-dienyl]pyrazine;propane is sourced from PubChem (CID 143067711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).