tributyl(pyrazin-2-yl)-λ4-sulfane

C16H30N2S — CID 163779986

IUPACtributyl(pyrazin-2-yl)-λ4-sulfane
SMILESCCCCS(CCCC)(CCCC)c1cnccn1
InChIInChI=1S/C16H30N2S/c1-4-7-12-19(13-8-5-2,14-9-6-3)16-15-17-10-11-18-16/h10-11,15H,4-9,12-14H2,1-3H3
InChIKeyMNUUDAUPARHZGW-UHFFFAOYSA-N
MW282.50 g/mol
LogP5.04
Rot. Bonds10

About tributyl(pyrazin-2-yl)-λ4-sulfane

tributyl(pyrazin-2-yl)-λ4-sulfane (PubChem CID 163779986) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is tributyl(pyrazin-2-yl)-λ4-sulfane.

Molecular Properties

Compound Nametributyl(pyrazin-2-yl)-λ4-sulfane
PubChem CID163779986
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Nametributyl(pyrazin-2-yl)-λ4-sulfane
SMILESCCCCS(CCCC)(CCCC)c1cnccn1
InChIInChI=1S/C16H30N2S/c1-4-7-12-19(13-8-5-2,14-9-6-3)16-15-17-10-11-18-16/h10-11,15H,4-9,12-14H2,1-3H3
InChIKeyMNUUDAUPARHZGW-UHFFFAOYSA-N
XLogP5.04
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.50
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of tributyl(pyrazin-2-yl)-λ4-sulfane?
The IUPAC name of tributyl(pyrazin-2-yl)-λ4-sulfane (CID 163779986) is tributyl(pyrazin-2-yl)-λ4-sulfane.
What is the SMILES notation for tributyl(pyrazin-2-yl)-λ4-sulfane?
The canonical SMILES for tributyl(pyrazin-2-yl)-λ4-sulfane is CCCCS(CCCC)(CCCC)c1cnccn1.
What is the InChIKey of tributyl(pyrazin-2-yl)-λ4-sulfane?
The InChIKey is MNUUDAUPARHZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-4-7-12-19(13-8-5-2,14-9-6-3)16-15-17-10-11-18-16/h10-11,15H,4-9,12-14H2,1-3H3.
What are the key properties of tributyl(pyrazin-2-yl)-λ4-sulfane?
tributyl(pyrazin-2-yl)-λ4-sulfane has a molecular weight of 282.50 g/mol, XLogP of 5.04, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tributyl(pyrazin-2-yl)-λ4-sulfane is sourced from PubChem (CID 163779986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).