5-(methoxymethyl)thiophene-2-carbonyl chloride

C7H7ClO2S — CID 21266024

IUPAC5-(methoxymethyl)thiophene-2-carbonyl chloride
SMILESCOCc1ccc(C(=O)Cl)s1
InChIInChI=1S/C7H7ClO2S/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3H,4H2,1H3
InChIKeyHCLXCZVVPVBEDM-UHFFFAOYSA-N
MW190.65 g/mol
LogP2.27
Rot. Bonds3

About 5-(methoxymethyl)thiophene-2-carbonyl chloride

5-(methoxymethyl)thiophene-2-carbonyl chloride (PubChem CID 21266024) has the molecular formula C7H7ClO2S and a molecular weight of 190.65 g/mol. Its IUPAC name is 5-(methoxymethyl)thiophene-2-carbonyl chloride.

Molecular Properties

Compound Name5-(methoxymethyl)thiophene-2-carbonyl chloride
PubChem CID21266024
Molecular FormulaC7H7ClO2S
Molecular Weight190.65 g/mol
Exact Mass189.99
IUPAC Name5-(methoxymethyl)thiophene-2-carbonyl chloride
SMILESCOCc1ccc(C(=O)Cl)s1
InChIInChI=1S/C7H7ClO2S/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3H,4H2,1H3
InChIKeyHCLXCZVVPVBEDM-UHFFFAOYSA-N
XLogP2.27
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.65
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-benzylthiophene-2-carbonyl chloride
CID 175504099
5-(methoxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-carboxamide
CID 74242161
2-(methoxymethyl)-5-methylthiophene
CID 15121011
1-[6-hydroxy-4-[5-(methoxymethyl)thiophene-2-carbonyl]-1,4-diazepan-1-yl]ethanone
CID 74241719
tert-butyl 3-(5-carbonochloridoylthiophen-2-yl)-2,2-dimethylpropanoate;5-[2,2-dimethyl-3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]thiophene-2-carboxylic acid
CID 161365700
[5-(methoxymethyl)thiophen-2-yl]boronic acid
CID 46785737
5-(hydroperoxymethyl)thiophene-2-carboxylic acid
CID 23563914
[(4R)-4-hydroxy-3,3,4-trimethylpiperidin-1-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 133129645
5-[(4-pentoxyphenyl)methyl]thiophene-2-carbonyl chloride
CID 86235376
[(1R,6S)-3,9-diazabicyclo[4.2.1]nonan-9-yl]-[5-(methoxymethyl)thiophen-2-yl]methanone
CID 133120064
(5-ethoxycarbonylthiophen-2-yl)methoxy-hydroxy-oxophosphanium
CID 70003605
5-(propoxymethyl)thiophene-2-carboxylic acid
CID 63380315

Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)thiophene-2-carbonyl chloride?
The IUPAC name of 5-(methoxymethyl)thiophene-2-carbonyl chloride (CID 21266024) is 5-(methoxymethyl)thiophene-2-carbonyl chloride.
What is the SMILES notation for 5-(methoxymethyl)thiophene-2-carbonyl chloride?
The canonical SMILES for 5-(methoxymethyl)thiophene-2-carbonyl chloride is COCc1ccc(C(=O)Cl)s1.
What is the InChIKey of 5-(methoxymethyl)thiophene-2-carbonyl chloride?
The InChIKey is HCLXCZVVPVBEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClO2S/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3H,4H2,1H3.
What are the key properties of 5-(methoxymethyl)thiophene-2-carbonyl chloride?
5-(methoxymethyl)thiophene-2-carbonyl chloride has a molecular weight of 190.65 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)thiophene-2-carbonyl chloride is sourced from PubChem (CID 21266024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).