2,3,4-trimethylthiophene

C7H10S — CID 15710

IUPAC2,3,4-trimethylthiophene
SMILESCc1csc(C)c1C
InChIInChI=1S/C7H10S/c1-5-4-8-7(3)6(5)2/h4H,1-3H3
InChIKeyMAVVDCDMBKFUES-UHFFFAOYSA-N
MW126.22 g/mol
LogP2.67
Rot. Bonds

About 2,3,4-trimethylthiophene

2,3,4-trimethylthiophene (PubChem CID 15710) has the molecular formula C7H10S and a molecular weight of 126.22 g/mol. Its IUPAC name is 2,3,4-trimethylthiophene.

Molecular Properties

Compound Name2,3,4-trimethylthiophene
PubChem CID15710
Molecular FormulaC7H10S
Molecular Weight126.22 g/mol
Exact Mass126.05
IUPAC Name2,3,4-trimethylthiophene
SMILESCc1csc(C)c1C
InChIInChI=1S/C7H10S/c1-5-4-8-7(3)6(5)2/h4H,1-3H3
InChIKeyMAVVDCDMBKFUES-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.22
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethylthiophene?
The IUPAC name of 2,3,4-trimethylthiophene (CID 15710) is 2,3,4-trimethylthiophene.
What is the SMILES notation for 2,3,4-trimethylthiophene?
The canonical SMILES for 2,3,4-trimethylthiophene is Cc1csc(C)c1C.
What is the InChIKey of 2,3,4-trimethylthiophene?
The InChIKey is MAVVDCDMBKFUES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10S/c1-5-4-8-7(3)6(5)2/h4H,1-3H3.
What are the key properties of 2,3,4-trimethylthiophene?
2,3,4-trimethylthiophene has a molecular weight of 126.22 g/mol, XLogP of 2.67, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethylthiophene is sourced from PubChem (CID 15710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).