1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one

C9H11ClOS — CID 103407395

IUPAC1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one
SMILESCc1csc(C(=O)C(C)C)c1Cl
InChIInChI=1S/C9H11ClOS/c1-5(2)8(11)9-7(10)6(3)4-12-9/h4-5H,1-3H3
InChIKeyBQYAONDLFRDZBC-UHFFFAOYSA-N
MW202.71 g/mol
LogP3.55
Rot. Bonds2

About 1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one

1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one (PubChem CID 103407395) has the molecular formula C9H11ClOS and a molecular weight of 202.71 g/mol. Its IUPAC name is 1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one
PubChem CID103407395
Molecular FormulaC9H11ClOS
Molecular Weight202.71 g/mol
Exact Mass202.02
IUPAC Name1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one
SMILESCc1csc(C(=O)C(C)C)c1Cl
InChIInChI=1S/C9H11ClOS/c1-5(2)8(11)9-7(10)6(3)4-12-9/h4-5H,1-3H3
InChIKeyBQYAONDLFRDZBC-UHFFFAOYSA-N
XLogP3.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.71
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-1-(3-chloro-4-methylthiophen-2-yl)ethanone
CID 103407197
N-butan-2-yl-3-chloro-4-methylthiophene-2-carboxamide
CID 103402961
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]butanoic acid
CID 103399973
3-[(3-chloro-4-methylthiophene-2-carbonyl)amino]-2-methylbutanoic acid
CID 103400274
3-chloro-N-(1-cyanoethyl)-4-methylthiophene-2-carboxamide
CID 103401616
3-(3-chloro-4-methylthiophen-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 103402018
3-chloro-N-(1,1-dimethoxypropan-2-yl)-4-methylthiophene-2-carboxamide
CID 103401856
(3-chloro-4-methylthiophen-2-yl)-(3,5-dimethylphenyl)methanone
CID 103407438
N-(1-bromo-3-methylbutan-2-yl)-3-chloro-4-methylthiophene-2-carboxamide
CID 103406104
3-chloro-N-(3-hydroxybutyl)-N,4-dimethylthiophene-2-carboxamide
CID 103403296
1-(3-chloro-4-methylthiophen-2-yl)-2-(4-ethylphenyl)ethanone
CID 103407449
3-chloro-N-(2-chloro-4-methylpentyl)-4-methylthiophene-2-carboxamide
CID 107157265

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one (CID 103407395) is 1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one is Cc1csc(C(=O)C(C)C)c1Cl.
What is the InChIKey of 1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one?
The InChIKey is BQYAONDLFRDZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClOS/c1-5(2)8(11)9-7(10)6(3)4-12-9/h4-5H,1-3H3.
What are the key properties of 1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one?
1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one has a molecular weight of 202.71 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-one is sourced from PubChem (CID 103407395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).