ethane;furan;bis(1-methylimidazole);bis(1-methylpyrazole);bis(1-methylpyrrole);1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene

C88H184N14O3S3 — CID 158302316

About ethane;furan;bis(1-methylimidazole);bis(1-methylpyrazole);bis(1-methylpyrrole);1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene

ethane;furan;bis(1-methylimidazole);bis(1-methylpyrazole);bis(1-methylpyrrole);1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene (PubChem CID 158302316) has the molecular formula C88H184N14O3S3 and a molecular weight of 1582.74 g/mol. Its IUPAC name is ethane;furan;bis(1-methylimidazole);bis(1-methylpyrazole);bis(1-methylpyrrole);1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene.

Molecular Properties

• Compound Name: ethane;furan;bis(1-methylimidazole);bis(1-methylpyrazole);bis(1-methylpyrrole);1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene
• PubChem CID: 158302316
• Molecular Formula: C88H184N14O3S3
• Molecular Weight: 1582.74 g/mol
• Exact Mass: 1581.38
• IUPAC Name: ethane;furan;bis(1-methylimidazole);bis(1-methylpyrazole);bis(1-methylpyrrole);1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1cccc1.Cn1cccc1.Cn1cccn1.Cn1cccn1.Cn1ccnc1.Cn1ccnc1.c1ccoc1.c1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1
• InChI: InChI=1S/2C5H7N.4C4H6N2.C4H4O.C4H4S.2C3H3NO.2C3H3NS.21C2H6/c2*1-6-4-2-3-5-6;2*1-6-3-2-5-4-6;2*1-6-4-2-3-5-6;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;21*1-2/h2*2-5H,1H3;4*2-4H,1H3;2*1-4H;4*1-3H;21*1-2H3
• InChIKey: GMQJMZATYKFSNX-UHFFFAOYSA-N
• XLogP: 31.94
• TPSA: 172.12 Ų
• H-Bond Acceptors: 20
• Heavy Atoms: 108
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1582.74
LogP ≤ 5	31.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of ethane;furan;bis(1-methylimidazole);bis(1-methylpyrazole);bis(1-methylpyrrole);1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene?

The IUPAC name of ethane;furan;bis(1-methylimidazole);bis(1-methylpyrazole);bis(1-methylpyrrole);1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene (CID 158302316) is ethane;furan;bis(1-methylimidazole);bis(1-methylpyrazole);bis(1-methylpyrrole);1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene.

What is the SMILES notation for ethane;furan;bis(1-methylimidazole);bis(1-methylpyrazole);bis(1-methylpyrrole);1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene?

The canonical SMILES for ethane;furan;bis(1-methylimidazole);bis(1-methylpyrazole);bis(1-methylpyrrole);1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.Cn1cccc1.Cn1cccc1.Cn1cccn1.Cn1cccn1.Cn1ccnc1.Cn1ccnc1.c1ccoc1.c1ccsc1.c1cnoc1.c1cnsc1.c1cocn1.c1cscn1.

What is the InChIKey of ethane;furan;bis(1-methylimidazole);bis(1-methylpyrazole);bis(1-methylpyrrole);1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene?

The InChIKey is GMQJMZATYKFSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H7N.4C4H6N2.C4H4O.C4H4S.2C3H3NO.2C3H3NS.21C2H6/c2*1-6-4-2-3-5-6;2*1-6-3-2-5-4-6;2*1-6-4-2-3-5-6;2*1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;1-2-5-3-4-1;1-2-4-5-3-1;21*1-2/h2*2-5H,1H3;4*2-4H,1H3;2*1-4H;4*1-3H;21*1-2H3.

What are the key properties of ethane;furan;bis(1-methylimidazole);bis(1-methylpyrazole);bis(1-methylpyrrole);1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene?

ethane;furan;bis(1-methylimidazole);bis(1-methylpyrazole);bis(1-methylpyrrole);1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene has a molecular weight of 1582.74 g/mol, XLogP of 31.94, 0 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;furan;bis(1-methylimidazole);bis(1-methylpyrazole);bis(1-methylpyrrole);1,2-oxazole;1,3-oxazole;1,2-thiazole;1,3-thiazole;thiophene is sourced from PubChem (CID 158302316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).