2-(4,5-dimethylthiophen-2-yl)-3-hexyl-5-methylthiophene

C17H24S2 — CID 23398510

IUPAC2-(4,5-dimethylthiophen-2-yl)-3-hexyl-5-methylthiophene
SMILESCCCCCCc1cc(C)sc1-c1cc(C)c(C)s1
InChIInChI=1S/C17H24S2/c1-5-6-7-8-9-15-11-13(3)18-17(15)16-10-12(2)14(4)19-16/h10-11H,5-9H2,1-4H3
InChIKeyISNGTSCKDPHNDR-UHFFFAOYSA-N
MW292.51 g/mol
LogP6.52
Rot. Bonds6

About 2-(4,5-dimethylthiophen-2-yl)-3-hexyl-5-methylthiophene

2-(4,5-dimethylthiophen-2-yl)-3-hexyl-5-methylthiophene (PubChem CID 23398510) has the molecular formula C17H24S2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 2-(4,5-dimethylthiophen-2-yl)-3-hexyl-5-methylthiophene.

Molecular Properties

Compound Name2-(4,5-dimethylthiophen-2-yl)-3-hexyl-5-methylthiophene
PubChem CID23398510
Molecular FormulaC17H24S2
Molecular Weight292.51 g/mol
Exact Mass292.13
IUPAC Name2-(4,5-dimethylthiophen-2-yl)-3-hexyl-5-methylthiophene
SMILESCCCCCCc1cc(C)sc1-c1cc(C)c(C)s1
InChIInChI=1S/C17H24S2/c1-5-6-7-8-9-15-11-13(3)18-17(15)16-10-12(2)14(4)19-16/h10-11H,5-9H2,1-4H3
InChIKeyISNGTSCKDPHNDR-UHFFFAOYSA-N
XLogP6.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.51
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hexyl-2-[4-hexyl-5-[4-hexyl-5-(4-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 58239839
2,5-bis(4,5-dimethylthiophen-2-yl)-3,4-dihexylthiophene
CID 58730139
3-dodecyl-2-[5-[5-(3-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 23522605
3-hexyl-2-[5-[5-[3-hexyl-5-[4-hexyl-5-[5-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 101128225
3-dodecyl-2-[(E)-2-[3-dodecyl-5-[3-dodecyl-5-[5-[5-(4-dodecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]ethenyl]-5-methylthiophene
CID 88869859
3-decyl-2-[5-[5-[3-decyl-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene;3-dodecyl-2-[5-[5-[3-dodecyl-5-(4-methylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene;2-[5-[5-(5-methyl-3-octylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-5-(4-methylphenyl)-3-octylthiophene
CID 90958689
4-[4-hexyl-5-[4-hexyl-5-[3-hexyl-5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-7-methyl-2,1,3-benzothiadiazole
CID 58121547
4-methyl-11-[5-[5-[5-(5-methyl-3-tridecylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-4-tridecylthiophen-2-yl]-5,12-di(tridecyl)-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
CID 58084273
5,12-di(heptadecyl)-4-[4-heptadecyl-5-[5-[5-(3-heptadecyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-11-methyl-3,7,10,14-tetrathiatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
CID 58084266
2-[5-[5-(3-dodeca-1,3,5,7,9,11-hexaynyl-5-methylthiophen-2-yl)thiophen-2-yl]thiophen-2-yl]-3-dodecyl-5-methylthiophene
CID 20789363
3-hexyl-2-[5-[5-[3-hexyl-5-(3-methylphenyl)thiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-5-methylthiophene
CID 58121713
2-bromo-4-[5-(3-hexyl-5-methylthiophen-2-yl)thiophen-2-yl]pyridine
CID 159203469

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethylthiophen-2-yl)-3-hexyl-5-methylthiophene?
The IUPAC name of 2-(4,5-dimethylthiophen-2-yl)-3-hexyl-5-methylthiophene (CID 23398510) is 2-(4,5-dimethylthiophen-2-yl)-3-hexyl-5-methylthiophene.
What is the SMILES notation for 2-(4,5-dimethylthiophen-2-yl)-3-hexyl-5-methylthiophene?
The canonical SMILES for 2-(4,5-dimethylthiophen-2-yl)-3-hexyl-5-methylthiophene is CCCCCCc1cc(C)sc1-c1cc(C)c(C)s1.
What is the InChIKey of 2-(4,5-dimethylthiophen-2-yl)-3-hexyl-5-methylthiophene?
The InChIKey is ISNGTSCKDPHNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24S2/c1-5-6-7-8-9-15-11-13(3)18-17(15)16-10-12(2)14(4)19-16/h10-11H,5-9H2,1-4H3.
What are the key properties of 2-(4,5-dimethylthiophen-2-yl)-3-hexyl-5-methylthiophene?
2-(4,5-dimethylthiophen-2-yl)-3-hexyl-5-methylthiophene has a molecular weight of 292.51 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethylthiophen-2-yl)-3-hexyl-5-methylthiophene is sourced from PubChem (CID 23398510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).