2-[(E)-3-phenylprop-2-enyl]sulfanylpyrazine

C13H12N2S — CID 22923307

IUPAC2-[(E)-3-phenylprop-2-enyl]sulfanylpyrazine
SMILESC(=C/c1ccccc1)\CSc1cnccn1
InChIInChI=1S/C13H12N2S/c1-2-5-12(6-3-1)7-4-10-16-13-11-14-8-9-15-13/h1-9,11H,10H2/b7-4+
InChIKeyXFYDZDDQBFKQEL-QPJJXVBHSA-N
MW228.32 g/mol
LogP3.28
Rot. Bonds4

About 2-[(E)-3-phenylprop-2-enyl]sulfanylpyrazine

2-[(E)-3-phenylprop-2-enyl]sulfanylpyrazine (PubChem CID 22923307) has the molecular formula C13H12N2S and a molecular weight of 228.32 g/mol. Its IUPAC name is 2-[(E)-3-phenylprop-2-enyl]sulfanylpyrazine.

Molecular Properties

Compound Name2-[(E)-3-phenylprop-2-enyl]sulfanylpyrazine
PubChem CID22923307
Molecular FormulaC13H12N2S
Molecular Weight228.32 g/mol
Exact Mass228.07
IUPAC Name2-[(E)-3-phenylprop-2-enyl]sulfanylpyrazine
SMILESC(=C/c1ccccc1)\CSc1cnccn1
InChIInChI=1S/C13H12N2S/c1-2-5-12(6-3-1)7-4-10-16-13-11-14-8-9-15-13/h1-9,11H,10H2/b7-4+
InChIKeyXFYDZDDQBFKQEL-QPJJXVBHSA-N
XLogP3.28
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[(4-Methylphenyl)sulfonyl]pyrazine
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Tyvfdsytwrxqgp-uhfffaoysa-
CID 11482531
2-Chloro-3-(phenylsulfanyl)pyrazine
CID 15889671
2-Benzylsulfanyl-pyrazine
CID 22923306
2,5-Dibenzylthiopyrazine 1-oxide
CID 495612
2-Benzylsulfanyl-3-(difluoromethyl)pyrazine
CID 137380292
2,3-Dichloro-5-[[4-(trifluoromethyl)phenyl]methylsulfanyl]pyrazine
CID 166951827
2-Chloro-3-[4-(trifluoromethyl)phenyl]sulfanylpyrazine
CID 169108037
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CID 169108349

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-3-phenylprop-2-enyl]sulfanylpyrazine?
The IUPAC name of 2-[(E)-3-phenylprop-2-enyl]sulfanylpyrazine (CID 22923307) is 2-[(E)-3-phenylprop-2-enyl]sulfanylpyrazine.
What is the SMILES notation for 2-[(E)-3-phenylprop-2-enyl]sulfanylpyrazine?
The canonical SMILES for 2-[(E)-3-phenylprop-2-enyl]sulfanylpyrazine is C(=C/c1ccccc1)\CSc1cnccn1.
What is the InChIKey of 2-[(E)-3-phenylprop-2-enyl]sulfanylpyrazine?
The InChIKey is XFYDZDDQBFKQEL-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H12N2S/c1-2-5-12(6-3-1)7-4-10-16-13-11-14-8-9-15-13/h1-9,11H,10H2/b7-4+.
What are the key properties of 2-[(E)-3-phenylprop-2-enyl]sulfanylpyrazine?
2-[(E)-3-phenylprop-2-enyl]sulfanylpyrazine has a molecular weight of 228.32 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-3-phenylprop-2-enyl]sulfanylpyrazine is sourced from PubChem (CID 22923307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).