5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine

C26H42Br2N2S — CID 21199980

IUPAC5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine
SMILESCCCCCCCCCCc1nc2c(Br)sc(Br)c2nc1CCCCCCCCCC
InChIInChI=1S/C26H42Br2N2S/c1-3-5-7-9-11-13-15-17-19-21-22(20-18-16-14-12-10-8-6-4-2)30-24-23(29-21)25(27)31-26(24)28/h3-20H2,1-2H3
InChIKeyNCNGRDJGMUUWPV-UHFFFAOYSA-N
MW574.51 g/mol
LogP10.58
Rot. Bonds18

About 5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine

5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine (PubChem CID 21199980) has the molecular formula C26H42Br2N2S and a molecular weight of 574.51 g/mol. Its IUPAC name is 5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine.

Molecular Properties

Compound Name5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine
PubChem CID21199980
Molecular FormulaC26H42Br2N2S
Molecular Weight574.51 g/mol
Exact Mass572.14
IUPAC Name5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine
SMILESCCCCCCCCCCc1nc2c(Br)sc(Br)c2nc1CCCCCCCCCC
InChIInChI=1S/C26H42Br2N2S/c1-3-5-7-9-11-13-15-17-19-21-22(20-18-16-14-12-10-8-6-4-2)30-24-23(29-21)25(27)31-26(24)28/h3-20H2,1-2H3
InChIKeyNCNGRDJGMUUWPV-UHFFFAOYSA-N
XLogP10.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.51
LogP ≤ 510.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5,7-bis(5-bromothiophen-2-yl)-2,3-dihexylthieno[3,4-b]pyrazine
CID 102456583
2,5-dibromo-3,4-didecylthiophene
CID 59856343
5,8-dibromo-2,3-dihexylpyrido[3,4-b]pyrazine
CID 71427074
5,8-dibromo-2,3-diheptylpyrido[3,4-b]pyrazine
CID 100969496
5-(5-bromo-4-icosylthiophen-2-yl)-7-(5-bromo-4-methylthiophen-2-yl)-2,3-di(icosyl)thieno[3,4-b]pyrazine
CID 89349036
5,7-dibromo-2-ethyl-3-methoxythieno[3,4-b]pyrazine
CID 20660384
2-bromo-5-nonyl-1,3,4-thiadiazole
CID 65426621
5-(5-bromothiophen-2-yl)-2-[5-(5-bromothiophen-2-yl)-4-nonyl-1,3-thiazol-2-yl]-4-nonyl-1,3-thiazole
CID 102054987
4,6-dibromo-2-heptadecylselenopheno[3,4-d][1,3]thiazole
CID 142739376
2-bromo-4-hexyl-5-iodo-1,3-oxazole
CID 58017999
2,3-dioctyl-5,8-bis(3-octylthiophen-2-yl)quinoxaline
CID 141269539
5,7-dibromo-2,3-bis(3-octoxyphenyl)thieno[3,4-b]pyrazine
CID 142727421

Frequently Asked Questions

What is the IUPAC name of 5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine?
The IUPAC name of 5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine (CID 21199980) is 5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine.
What is the SMILES notation for 5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine?
The canonical SMILES for 5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine is CCCCCCCCCCc1nc2c(Br)sc(Br)c2nc1CCCCCCCCCC.
What is the InChIKey of 5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine?
The InChIKey is NCNGRDJGMUUWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42Br2N2S/c1-3-5-7-9-11-13-15-17-19-21-22(20-18-16-14-12-10-8-6-4-2)30-24-23(29-21)25(27)31-26(24)28/h3-20H2,1-2H3.
What are the key properties of 5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine?
5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine has a molecular weight of 574.51 g/mol, XLogP of 10.58, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dibromo-2,3-didecylthieno[3,4-b]pyrazine is sourced from PubChem (CID 21199980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).