ethane;6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazine-2-thione

C12H18N2S — CID 145341104

IUPACethane;6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazine-2-thione
SMILESC=Cc1[nH]c(=S)c(C)nc1/C=C\C.CC
InChIInChI=1S/C10H12N2S.C2H6/c1-4-6-9-8(5-2)12-10(13)7(3)11-9;1-2/h4-6H,2H2,1,3H3,(H,12,13);1-2H3/b6-4-;
InChIKeyYIJZSXHSOYFQRE-YHSAGPEESA-N
MW222.36 g/mol
LogP4.15
Rot. Bonds2

About ethane;6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazine-2-thione

ethane;6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazine-2-thione (PubChem CID 145341104) has the molecular formula C12H18N2S and a molecular weight of 222.36 g/mol. Its IUPAC name is ethane;6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazine-2-thione.

Molecular Properties

Compound Nameethane;6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazine-2-thione
PubChem CID145341104
Molecular FormulaC12H18N2S
Molecular Weight222.36 g/mol
Exact Mass222.12
IUPAC Nameethane;6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazine-2-thione
SMILESC=Cc1[nH]c(=S)c(C)nc1/C=C\C.CC
InChIInChI=1S/C10H12N2S.C2H6/c1-4-6-9-8(5-2)12-10(13)7(3)11-9;1-2/h4-6H,2H2,1,3H3,(H,12,13);1-2H3/b6-4-;
InChIKeyYIJZSXHSOYFQRE-YHSAGPEESA-N
XLogP4.15
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazine-2-thione?
The IUPAC name of ethane;6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazine-2-thione (CID 145341104) is ethane;6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazine-2-thione.
What is the SMILES notation for ethane;6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazine-2-thione?
The canonical SMILES for ethane;6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazine-2-thione is C=Cc1[nH]c(=S)c(C)nc1/C=C\C.CC.
What is the InChIKey of ethane;6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazine-2-thione?
The InChIKey is YIJZSXHSOYFQRE-YHSAGPEESA-N. The full InChI is InChI=1S/C10H12N2S.C2H6/c1-4-6-9-8(5-2)12-10(13)7(3)11-9;1-2/h4-6H,2H2,1,3H3,(H,12,13);1-2H3/b6-4-;.
What are the key properties of ethane;6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazine-2-thione?
ethane;6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazine-2-thione has a molecular weight of 222.36 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-ethenyl-3-methyl-5-[(Z)-prop-1-enyl]-1H-pyrazine-2-thione is sourced from PubChem (CID 145341104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).