2-chloro-5-methylthiophene-3-carbonyl chloride

C6H4Cl2OS — CID 144667552

IUPAC2-chloro-5-methylthiophene-3-carbonyl chloride
SMILESCc1cc(C(=O)Cl)c(Cl)s1
InChIInChI=1S/C6H4Cl2OS/c1-3-2-4(5(7)9)6(8)10-3/h2H,1H3
InChIKeyXRAYYJAWDPNYCA-UHFFFAOYSA-N
MW195.07 g/mol
LogP3.09
Rot. Bonds1

About 2-chloro-5-methylthiophene-3-carbonyl chloride

2-chloro-5-methylthiophene-3-carbonyl chloride (PubChem CID 144667552) has the molecular formula C6H4Cl2OS and a molecular weight of 195.07 g/mol. Its IUPAC name is 2-chloro-5-methylthiophene-3-carbonyl chloride.

Molecular Properties

Compound Name2-chloro-5-methylthiophene-3-carbonyl chloride
PubChem CID144667552
Molecular FormulaC6H4Cl2OS
Molecular Weight195.07 g/mol
Exact Mass193.94
IUPAC Name2-chloro-5-methylthiophene-3-carbonyl chloride
SMILESCc1cc(C(=O)Cl)c(Cl)s1
InChIInChI=1S/C6H4Cl2OS/c1-3-2-4(5(7)9)6(8)10-3/h2H,1H3
InChIKeyXRAYYJAWDPNYCA-UHFFFAOYSA-N
XLogP3.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.07
LogP ≤ 53.09
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 2-chloro-5-methylthiophene-3-carbonyl chloride?
The IUPAC name of 2-chloro-5-methylthiophene-3-carbonyl chloride (CID 144667552) is 2-chloro-5-methylthiophene-3-carbonyl chloride.
What is the SMILES notation for 2-chloro-5-methylthiophene-3-carbonyl chloride?
The canonical SMILES for 2-chloro-5-methylthiophene-3-carbonyl chloride is Cc1cc(C(=O)Cl)c(Cl)s1.
What is the InChIKey of 2-chloro-5-methylthiophene-3-carbonyl chloride?
The InChIKey is XRAYYJAWDPNYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4Cl2OS/c1-3-2-4(5(7)9)6(8)10-3/h2H,1H3.
What are the key properties of 2-chloro-5-methylthiophene-3-carbonyl chloride?
2-chloro-5-methylthiophene-3-carbonyl chloride has a molecular weight of 195.07 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-methylthiophene-3-carbonyl chloride is sourced from PubChem (CID 144667552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).