1-(3-methylthiophen-2-yl)ethanone;tetrachloromethane

C8H8Cl4OS — CID 91068809

IUPAC1-(3-methylthiophen-2-yl)ethanone;tetrachloromethane
SMILESCC(=O)c1sccc1C.ClC(Cl)(Cl)Cl
InChIInChI=1S/C7H8OS.CCl4/c1-5-3-4-9-7(5)6(2)8;2-1(3,4)5/h3-4H,1-2H3;
InChIKeyBRUOUGUTOUAYJQ-UHFFFAOYSA-N
MW294.03 g/mol
LogP4.81
Rot. Bonds1

About 1-(3-methylthiophen-2-yl)ethanone;tetrachloromethane

1-(3-methylthiophen-2-yl)ethanone;tetrachloromethane (PubChem CID 91068809) has the molecular formula C8H8Cl4OS and a molecular weight of 294.03 g/mol. Its IUPAC name is 1-(3-methylthiophen-2-yl)ethanone;tetrachloromethane.

Molecular Properties

Compound Name1-(3-methylthiophen-2-yl)ethanone;tetrachloromethane
PubChem CID91068809
Molecular FormulaC8H8Cl4OS
Molecular Weight294.03 g/mol
Exact Mass291.90
IUPAC Name1-(3-methylthiophen-2-yl)ethanone;tetrachloromethane
SMILESCC(=O)c1sccc1C.ClC(Cl)(Cl)Cl
InChIInChI=1S/C7H8OS.CCl4/c1-5-3-4-9-7(5)6(2)8;2-1(3,4)5/h3-4H,1-2H3;
InChIKeyBRUOUGUTOUAYJQ-UHFFFAOYSA-N
XLogP4.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.03
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-methylthiophene-2-carboxylic acid
CID 142138544
1-(2-acetylthiophen-3-yl)ethanone
CID 69091147
2-(3-methylthiophen-2-yl)-2-oxoacetamide
CID 116924521
[(3-methylthiophene-2-carbonyl)amino]urea
CID 63001953
2-hydroxy-3,3-dimethyl-1-(3-methylthiophen-2-yl)butan-1-one
CID 103456225
1-(3-methylthiophen-2-yl)prop-2-en-1-one
CID 83957669
N-(4-hydroxyphenyl)-3-methylthiophene-2-carboxamide
CID 28739515
N-(4-hydroxyphenyl)-N,3-dimethylthiophene-2-carboxamide
CID 28739196
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-methylthiophene-2-carboxamide
CID 107845769
3-methyl-N-(2-methylprop-2-enyl)thiophene-2-carboxamide
CID 114618529
2-(diethylamino)-2-methyl-1-(3-methylthiophen-2-yl)propan-1-one
CID 79992059
[(3-methylthiophene-2-carbonyl)amino]thiourea
CID 65214886

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylthiophen-2-yl)ethanone;tetrachloromethane?
The IUPAC name of 1-(3-methylthiophen-2-yl)ethanone;tetrachloromethane (CID 91068809) is 1-(3-methylthiophen-2-yl)ethanone;tetrachloromethane.
What is the SMILES notation for 1-(3-methylthiophen-2-yl)ethanone;tetrachloromethane?
The canonical SMILES for 1-(3-methylthiophen-2-yl)ethanone;tetrachloromethane is CC(=O)c1sccc1C.ClC(Cl)(Cl)Cl.
What is the InChIKey of 1-(3-methylthiophen-2-yl)ethanone;tetrachloromethane?
The InChIKey is BRUOUGUTOUAYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8OS.CCl4/c1-5-3-4-9-7(5)6(2)8;2-1(3,4)5/h3-4H,1-2H3;.
What are the key properties of 1-(3-methylthiophen-2-yl)ethanone;tetrachloromethane?
1-(3-methylthiophen-2-yl)ethanone;tetrachloromethane has a molecular weight of 294.03 g/mol, XLogP of 4.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylthiophen-2-yl)ethanone;tetrachloromethane is sourced from PubChem (CID 91068809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).