2,3,4-trimethyl-5-(2,4,5-trimethylthiophen-3-yl)thiophene

C14H18S2 — CID 58555338

IUPAC2,3,4-trimethyl-5-(2,4,5-trimethylthiophen-3-yl)thiophene
SMILESCc1sc(-c2c(C)sc(C)c2C)c(C)c1C
InChIInChI=1S/C14H18S2/c1-7-8(2)14(16-10(7)4)13-9(3)11(5)15-12(13)6/h1-6H3
InChIKeyILPGGVISHCRUDJ-UHFFFAOYSA-N
MW250.43 g/mol
LogP5.33
Rot. Bonds1

About 2,3,4-trimethyl-5-(2,4,5-trimethylthiophen-3-yl)thiophene

2,3,4-trimethyl-5-(2,4,5-trimethylthiophen-3-yl)thiophene (PubChem CID 58555338) has the molecular formula C14H18S2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 2,3,4-trimethyl-5-(2,4,5-trimethylthiophen-3-yl)thiophene.

Molecular Properties

Compound Name2,3,4-trimethyl-5-(2,4,5-trimethylthiophen-3-yl)thiophene
PubChem CID58555338
Molecular FormulaC14H18S2
Molecular Weight250.43 g/mol
Exact Mass250.08
IUPAC Name2,3,4-trimethyl-5-(2,4,5-trimethylthiophen-3-yl)thiophene
SMILESCc1sc(-c2c(C)sc(C)c2C)c(C)c1C
InChIInChI=1S/C14H18S2/c1-7-8(2)14(16-10(7)4)13-9(3)11(5)15-12(13)6/h1-6H3
InChIKeyILPGGVISHCRUDJ-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.43
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-5-(2,4,5-trimethylthiophen-3-yl)thiophene?
The IUPAC name of 2,3,4-trimethyl-5-(2,4,5-trimethylthiophen-3-yl)thiophene (CID 58555338) is 2,3,4-trimethyl-5-(2,4,5-trimethylthiophen-3-yl)thiophene.
What is the SMILES notation for 2,3,4-trimethyl-5-(2,4,5-trimethylthiophen-3-yl)thiophene?
The canonical SMILES for 2,3,4-trimethyl-5-(2,4,5-trimethylthiophen-3-yl)thiophene is Cc1sc(-c2c(C)sc(C)c2C)c(C)c1C.
What is the InChIKey of 2,3,4-trimethyl-5-(2,4,5-trimethylthiophen-3-yl)thiophene?
The InChIKey is ILPGGVISHCRUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18S2/c1-7-8(2)14(16-10(7)4)13-9(3)11(5)15-12(13)6/h1-6H3.
What are the key properties of 2,3,4-trimethyl-5-(2,4,5-trimethylthiophen-3-yl)thiophene?
2,3,4-trimethyl-5-(2,4,5-trimethylthiophen-3-yl)thiophene has a molecular weight of 250.43 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-5-(2,4,5-trimethylthiophen-3-yl)thiophene is sourced from PubChem (CID 58555338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).