1-(3-bromothiophen-2-yl)-2-pyrazin-2-ylsulfanylethanone

C10H7BrN2OS2 — CID 63381009

IUPAC1-(3-bromothiophen-2-yl)-2-pyrazin-2-ylsulfanylethanone
SMILESO=C(CSc1cnccn1)c1sccc1Br
InChIInChI=1S/C10H7BrN2OS2/c11-7-1-4-15-10(7)8(14)6-16-9-5-12-2-3-13-9/h1-5H,6H2
InChIKeyRYRNAXSFELNYHB-UHFFFAOYSA-N
MW315.22 g/mol
LogP3.28
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-2-pyrazin-2-ylsulfanylethanone

1-(3-bromothiophen-2-yl)-2-pyrazin-2-ylsulfanylethanone (PubChem CID 63381009) has the molecular formula C10H7BrN2OS2 and a molecular weight of 315.22 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-pyrazin-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-pyrazin-2-ylsulfanylethanone
PubChem CID63381009
Molecular FormulaC10H7BrN2OS2
Molecular Weight315.22 g/mol
Exact Mass313.92
IUPAC Name1-(3-bromothiophen-2-yl)-2-pyrazin-2-ylsulfanylethanone
SMILESO=C(CSc1cnccn1)c1sccc1Br
InChIInChI=1S/C10H7BrN2OS2/c11-7-1-4-15-10(7)8(14)6-16-9-5-12-2-3-13-9/h1-5H,6H2
InChIKeyRYRNAXSFELNYHB-UHFFFAOYSA-N
XLogP3.28
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.22
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(3-bromothiophen-2-yl)-2-pyrazin-2-ylsulfanylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-phenyl-2-pyrazin-2-ylsulfanylethanone
CID 63381108
1-(2,5-dibromothiophen-3-yl)-2-pyrazin-2-ylsulfanylethanone
CID 63407368
2-(2-bromophenyl)sulfanyl-1-(3-bromothiophen-2-yl)ethanone
CID 43654841
1-(3,4-dihydroxyphenyl)-2-pyrazin-2-ylsulfanylethanone
CID 63381744
1-(3-bromothiophen-2-yl)-2-tert-butylsulfanylethanone
CID 43654827
1-(3-bromothiophen-2-yl)-2-[[5-(dimethylamino)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone
CID 55241250
1-(2,5-dichlorophenyl)-2-pyrazin-2-ylsulfanylethanone
CID 55249483
1-(3-bromothiophen-2-yl)-2-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 55753908
1-(3-bromothiophen-2-yl)-3-(2-methylpyrazol-3-yl)propan-1-one
CID 103024409
1-(3-bromothiophen-2-yl)-2-butan-2-ylsulfanylethanone
CID 43654797
1-(3-bromothiophen-2-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone
CID 55753805
1-(3-bromothiophen-2-yl)-2-propylsulfinylethanone
CID 64638480

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-pyrazin-2-ylsulfanylethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-pyrazin-2-ylsulfanylethanone (CID 63381009) is 1-(3-bromothiophen-2-yl)-2-pyrazin-2-ylsulfanylethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-pyrazin-2-ylsulfanylethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-pyrazin-2-ylsulfanylethanone is O=C(CSc1cnccn1)c1sccc1Br.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-pyrazin-2-ylsulfanylethanone?
The InChIKey is RYRNAXSFELNYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN2OS2/c11-7-1-4-15-10(7)8(14)6-16-9-5-12-2-3-13-9/h1-5H,6H2.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-pyrazin-2-ylsulfanylethanone?
1-(3-bromothiophen-2-yl)-2-pyrazin-2-ylsulfanylethanone has a molecular weight of 315.22 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-pyrazin-2-ylsulfanylethanone is sourced from PubChem (CID 63381009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).