2,5-dimethylthiophene;ethane;propane;thiophene

C15H26S2 — CID 90928248

IUPAC2,5-dimethylthiophene;ethane;propane;thiophene
SMILESCC.CCC.Cc1ccc(C)s1.c1ccsc1
InChIInChI=1S/C6H8S.C4H4S.C3H8.C2H6/c1-5-3-4-6(2)7-5;1-2-4-5-3-1;1-3-2;1-2/h3-4H,1-2H3;1-4H;3H2,1-2H3;1-2H3
InChIKeyJKSAKUCFEZRJLZ-UHFFFAOYSA-N
MW270.51 g/mol
LogP6.56
Rot. Bonds

About 2,5-dimethylthiophene;ethane;propane;thiophene

2,5-dimethylthiophene;ethane;propane;thiophene (PubChem CID 90928248) has the molecular formula C15H26S2 and a molecular weight of 270.51 g/mol. Its IUPAC name is 2,5-dimethylthiophene;ethane;propane;thiophene.

Molecular Properties

Compound Name2,5-dimethylthiophene;ethane;propane;thiophene
PubChem CID90928248
Molecular FormulaC15H26S2
Molecular Weight270.51 g/mol
Exact Mass270.15
IUPAC Name2,5-dimethylthiophene;ethane;propane;thiophene
SMILESCC.CCC.Cc1ccc(C)s1.c1ccsc1
InChIInChI=1S/C6H8S.C4H4S.C3H8.C2H6/c1-5-3-4-6(2)7-5;1-2-4-5-3-1;1-3-2;1-2/h3-4H,1-2H3;1-4H;3H2,1-2H3;1-2H3
InChIKeyJKSAKUCFEZRJLZ-UHFFFAOYSA-N
XLogP6.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.51
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;thiophene;toluene
CID 142047942
2,5-dimethylthiophene;naphthalene
CID 91607393
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
acetylene;ethane;2-ethyl-5-methylthiophene
CID 143080420
thiophene
CID 66625890
ethane;2-methylthiophene
CID 90990568
but-1-yne;thiophene
CID 157338578
4-methylpyridine;thiophene
CID 145224941
phosphane;thiophene
CID 162184194
thiophene;dihydrofluoride
CID 175081448
lanthanum;thiophene
CID 175346926

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethylthiophene;ethane;propane;thiophene?
The IUPAC name of 2,5-dimethylthiophene;ethane;propane;thiophene (CID 90928248) is 2,5-dimethylthiophene;ethane;propane;thiophene.
What is the SMILES notation for 2,5-dimethylthiophene;ethane;propane;thiophene?
The canonical SMILES for 2,5-dimethylthiophene;ethane;propane;thiophene is CC.CCC.Cc1ccc(C)s1.c1ccsc1.
What is the InChIKey of 2,5-dimethylthiophene;ethane;propane;thiophene?
The InChIKey is JKSAKUCFEZRJLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S.C4H4S.C3H8.C2H6/c1-5-3-4-6(2)7-5;1-2-4-5-3-1;1-3-2;1-2/h3-4H,1-2H3;1-4H;3H2,1-2H3;1-2H3.
What are the key properties of 2,5-dimethylthiophene;ethane;propane;thiophene?
2,5-dimethylthiophene;ethane;propane;thiophene has a molecular weight of 270.51 g/mol, XLogP of 6.56, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylthiophene;ethane;propane;thiophene is sourced from PubChem (CID 90928248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).