(4,5-dimethylthiophen-2-yl)methanone

C7H7OS+ — CID 143851227

IUPAC(4,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc([C+]=O)sc1C
InChIInChI=1S/C7H7OS/c1-5-3-7(4-8)9-6(5)2/h3H,1-2H3/q+1
InChIKeyQTWVGGZBJVTRMY-UHFFFAOYSA-N
MW139.20 g/mol
LogP1.82
Rot. Bonds1

About (4,5-dimethylthiophen-2-yl)methanone

(4,5-dimethylthiophen-2-yl)methanone (PubChem CID 143851227) has the molecular formula C7H7OS+ and a molecular weight of 139.20 g/mol. Its IUPAC name is (4,5-dimethylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(4,5-dimethylthiophen-2-yl)methanone
PubChem CID143851227
Molecular FormulaC7H7OS+
Molecular Weight139.20 g/mol
Exact Mass139.02
IUPAC Name(4,5-dimethylthiophen-2-yl)methanone
SMILESCc1cc([C+]=O)sc1C
InChIInChI=1S/C7H7OS/c1-5-3-7(4-8)9-6(5)2/h3H,1-2H3/q+1
InChIKeyQTWVGGZBJVTRMY-UHFFFAOYSA-N
XLogP1.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(E)-2-(4,5-dimethylthiophen-2-yl)ethenyl]-2,3-dimethylthiophene
CID 168735016
N-[(4,5-dimethylthiophen-2-yl)methyl]propane-1-sulfonamide
CID 65245329
5-tert-butyl-2,3-dimethylthiophene
CID 59772802
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-ethylsulfonylethanamine
CID 65243774
2-bromo-N-[(4,5-dimethylthiophen-2-yl)methyl]propanamide
CID 107905367
1-(4,5-dimethylthiophen-2-yl)-2-methylpropan-1-one
CID 114962093
N-[(4,5-dimethylthiophen-2-yl)methyl]-2-(methylamino)ethanesulfonamide
CID 65243947
N-[(4,5-dimethylthiophen-2-yl)methyl]propan-2-amine
CID 59237373
1-chloro-N-[(4,5-dimethylthiophen-2-yl)methyl]methanesulfonamide
CID 65245746
1-(4,5-dimethylthiophen-2-yl)-3-methylbut-2-en-1-one
CID 115780774
1-amino-1-(4,5-dimethylthiophen-2-yl)propan-2-one
CID 55294713
methane;1,2,4,5-tetramethylbenzene
CID 162125793

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylthiophen-2-yl)methanone?
The IUPAC name of (4,5-dimethylthiophen-2-yl)methanone (CID 143851227) is (4,5-dimethylthiophen-2-yl)methanone.
What is the SMILES notation for (4,5-dimethylthiophen-2-yl)methanone?
The canonical SMILES for (4,5-dimethylthiophen-2-yl)methanone is Cc1cc([C+]=O)sc1C.
What is the InChIKey of (4,5-dimethylthiophen-2-yl)methanone?
The InChIKey is QTWVGGZBJVTRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7OS/c1-5-3-7(4-8)9-6(5)2/h3H,1-2H3/q+1.
What are the key properties of (4,5-dimethylthiophen-2-yl)methanone?
(4,5-dimethylthiophen-2-yl)methanone has a molecular weight of 139.20 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylthiophen-2-yl)methanone is sourced from PubChem (CID 143851227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).