2,5-bis(tert-butylsulfanyl)pyrazine

C12H20N2S2 — CID 121007849

IUPAC2,5-bis(tert-butylsulfanyl)pyrazine
SMILESCC(C)(C)Sc1cnc(SC(C)(C)C)cn1
InChIInChI=1S/C12H20N2S2/c1-11(2,3)15-9-7-14-10(8-13-9)16-12(4,5)6/h7-8H,1-6H3
InChIKeyLOJXKAANLWOILN-UHFFFAOYSA-N
MW256.44 g/mol
LogP4.26
Rot. Bonds2

About 2,5-bis(tert-butylsulfanyl)pyrazine

2,5-bis(tert-butylsulfanyl)pyrazine (PubChem CID 121007849) has the molecular formula C12H20N2S2 and a molecular weight of 256.44 g/mol. Its IUPAC name is 2,5-bis(tert-butylsulfanyl)pyrazine.

Molecular Properties

Compound Name2,5-bis(tert-butylsulfanyl)pyrazine
PubChem CID121007849
Molecular FormulaC12H20N2S2
Molecular Weight256.44 g/mol
Exact Mass256.11
IUPAC Name2,5-bis(tert-butylsulfanyl)pyrazine
SMILESCC(C)(C)Sc1cnc(SC(C)(C)C)cn1
InChIInChI=1S/C12H20N2S2/c1-11(2,3)15-9-7-14-10(8-13-9)16-12(4,5)6/h7-8H,1-6H3
InChIKeyLOJXKAANLWOILN-UHFFFAOYSA-N
XLogP4.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(6-tert-butylsulfanyl-3-pyridinyl)methyl]-2-methylpropan-2-amine
CID 80639274
2-(6-tert-butylsulfanyl-3-pyridinyl)ethanol
CID 102546908
(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)methanamine
CID 102545780
(1S)-1-(6-tert-butylsulfanyl-3-pyridinyl)propan-1-ol
CID 124503049
N-[(6-tert-butylsulfanyl-3-pyridinyl)methylidene]hydroxylamine
CID 131847200
methyl 6-tert-butylsulfanylpyridine-3-carboxylate
CID 102546899
2,3-bis(tert-butylsulfanyl)pyrazine
CID 71334433
4-tert-butyl-2-tert-butylsulfanylpyridine
CID 597348
2-tert-butylsulfanylpyrimidin-5-amine
CID 61147249
(R)-(6-tert-butylsulfanyl-4-methyl-3-pyridinyl)-phenylmethanol
CID 124502131
4-tert-butylsulfanyl-N,5-dimethylpyrimidin-2-amine
CID 80888484
2,4-bis(tert-butylsulfanyl)-6-methylpyrimidine
CID 13092981

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(tert-butylsulfanyl)pyrazine?
The IUPAC name of 2,5-bis(tert-butylsulfanyl)pyrazine (CID 121007849) is 2,5-bis(tert-butylsulfanyl)pyrazine.
What is the SMILES notation for 2,5-bis(tert-butylsulfanyl)pyrazine?
The canonical SMILES for 2,5-bis(tert-butylsulfanyl)pyrazine is CC(C)(C)Sc1cnc(SC(C)(C)C)cn1.
What is the InChIKey of 2,5-bis(tert-butylsulfanyl)pyrazine?
The InChIKey is LOJXKAANLWOILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2S2/c1-11(2,3)15-9-7-14-10(8-13-9)16-12(4,5)6/h7-8H,1-6H3.
What are the key properties of 2,5-bis(tert-butylsulfanyl)pyrazine?
2,5-bis(tert-butylsulfanyl)pyrazine has a molecular weight of 256.44 g/mol, XLogP of 4.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(tert-butylsulfanyl)pyrazine is sourced from PubChem (CID 121007849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).