3,4,5-trimethylthiophene-2-carbonyl chloride

C8H9ClOS — CID 20713019

IUPAC3,4,5-trimethylthiophene-2-carbonyl chloride
SMILESCc1sc(C(=O)Cl)c(C)c1C
InChIInChI=1S/C8H9ClOS/c1-4-5(2)7(8(9)10)11-6(4)3/h1-3H3
InChIKeyLDWPWZGFRMSIML-UHFFFAOYSA-N
MW188.68 g/mol
LogP3.05
Rot. Bonds1

About 3,4,5-trimethylthiophene-2-carbonyl chloride

3,4,5-trimethylthiophene-2-carbonyl chloride (PubChem CID 20713019) has the molecular formula C8H9ClOS and a molecular weight of 188.68 g/mol. Its IUPAC name is 3,4,5-trimethylthiophene-2-carbonyl chloride.

Molecular Properties

Compound Name3,4,5-trimethylthiophene-2-carbonyl chloride
PubChem CID20713019
Molecular FormulaC8H9ClOS
Molecular Weight188.68 g/mol
Exact Mass188.01
IUPAC Name3,4,5-trimethylthiophene-2-carbonyl chloride
SMILESCc1sc(C(=O)Cl)c(C)c1C
InChIInChI=1S/C8H9ClOS/c1-4-5(2)7(8(9)10)11-6(4)3/h1-3H3
InChIKeyLDWPWZGFRMSIML-UHFFFAOYSA-N
XLogP3.05
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.68
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethylthiophene-2-carbonyl chloride?
The IUPAC name of 3,4,5-trimethylthiophene-2-carbonyl chloride (CID 20713019) is 3,4,5-trimethylthiophene-2-carbonyl chloride.
What is the SMILES notation for 3,4,5-trimethylthiophene-2-carbonyl chloride?
The canonical SMILES for 3,4,5-trimethylthiophene-2-carbonyl chloride is Cc1sc(C(=O)Cl)c(C)c1C.
What is the InChIKey of 3,4,5-trimethylthiophene-2-carbonyl chloride?
The InChIKey is LDWPWZGFRMSIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClOS/c1-4-5(2)7(8(9)10)11-6(4)3/h1-3H3.
What are the key properties of 3,4,5-trimethylthiophene-2-carbonyl chloride?
3,4,5-trimethylthiophene-2-carbonyl chloride has a molecular weight of 188.68 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethylthiophene-2-carbonyl chloride is sourced from PubChem (CID 20713019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).