butyl 2-pyrazin-2-ylsulfanylacetate

C10H14N2O2S — CID 63380450

IUPACbutyl 2-pyrazin-2-ylsulfanylacetate
SMILESCCCCOC(=O)CSc1cnccn1
InChIInChI=1S/C10H14N2O2S/c1-2-3-6-14-10(13)8-15-9-7-11-4-5-12-9/h4-5,7H,2-3,6,8H2,1H3
InChIKeyRCZDCCINTWDMQQ-UHFFFAOYSA-N
MW226.30 g/mol
LogP1.91
Rot. Bonds6

About butyl 2-pyrazin-2-ylsulfanylacetate

butyl 2-pyrazin-2-ylsulfanylacetate (PubChem CID 63380450) has the molecular formula C10H14N2O2S and a molecular weight of 226.30 g/mol. Its IUPAC name is butyl 2-pyrazin-2-ylsulfanylacetate.

Molecular Properties

Compound Namebutyl 2-pyrazin-2-ylsulfanylacetate
PubChem CID63380450
Molecular FormulaC10H14N2O2S
Molecular Weight226.30 g/mol
Exact Mass226.08
IUPAC Namebutyl 2-pyrazin-2-ylsulfanylacetate
SMILESCCCCOC(=O)CSc1cnccn1
InChIInChI=1S/C10H14N2O2S/c1-2-3-6-14-10(13)8-15-9-7-11-4-5-12-9/h4-5,7H,2-3,6,8H2,1H3
InChIKeyRCZDCCINTWDMQQ-UHFFFAOYSA-N
XLogP1.91
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methyl-3-pyrazin-2-ylsulfanylpropanoate
CID 63381166
butyl 2-[(4-methyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate
CID 78764683
butyl 2-cyano-2-pyrazin-2-ylacetate
CID 71146804
ethyl 2-pyridin-2-ylsulfanylacetate
CID 6464675
1-phenyl-2-pyrazin-2-ylsulfanylethanone
CID 63381108
N-propyl-2-(pyrazin-2-ylsulfanylmethyl)prop-2-en-1-amine
CID 103068567
hexadecyl 2-phenylsulfanylacetate
CID 531636
butyl 2-(4-amino-3-fluorophenyl)sulfanylacetate
CID 79141628
4-pyrazin-2-ylsulfanylbutanehydrazide
CID 63580949
butyl 4-(pyridin-2-yldisulfanyl)butanoate
CID 90322335
butyl 2-(5-amino-2-chlorophenyl)sulfanylacetate
CID 79133347
butyl 2-(2-amino-5-bromophenyl)sulfanylacetate
CID 79533584

Frequently Asked Questions

What is the IUPAC name of butyl 2-pyrazin-2-ylsulfanylacetate?
The IUPAC name of butyl 2-pyrazin-2-ylsulfanylacetate (CID 63380450) is butyl 2-pyrazin-2-ylsulfanylacetate.
What is the SMILES notation for butyl 2-pyrazin-2-ylsulfanylacetate?
The canonical SMILES for butyl 2-pyrazin-2-ylsulfanylacetate is CCCCOC(=O)CSc1cnccn1.
What is the InChIKey of butyl 2-pyrazin-2-ylsulfanylacetate?
The InChIKey is RCZDCCINTWDMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2S/c1-2-3-6-14-10(13)8-15-9-7-11-4-5-12-9/h4-5,7H,2-3,6,8H2,1H3.
What are the key properties of butyl 2-pyrazin-2-ylsulfanylacetate?
butyl 2-pyrazin-2-ylsulfanylacetate has a molecular weight of 226.30 g/mol, XLogP of 1.91, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 2-pyrazin-2-ylsulfanylacetate is sourced from PubChem (CID 63380450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).