3-(2,3-dichlorophenyl)-4-methylthiophene

C11H8Cl2S — CID 130088701

IUPAC3-(2,3-dichlorophenyl)-4-methylthiophene
SMILESCc1cscc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C11H8Cl2S/c1-7-5-14-6-9(7)8-3-2-4-10(12)11(8)13/h2-6H,1H3
InChIKeyGGSNYTBUZUUQLR-UHFFFAOYSA-N
MW243.16 g/mol
LogP5.03
Rot. Bonds1

About 3-(2,3-dichlorophenyl)-4-methylthiophene

3-(2,3-dichlorophenyl)-4-methylthiophene (PubChem CID 130088701) has the molecular formula C11H8Cl2S and a molecular weight of 243.16 g/mol. Its IUPAC name is 3-(2,3-dichlorophenyl)-4-methylthiophene.

Molecular Properties

Compound Name3-(2,3-dichlorophenyl)-4-methylthiophene
PubChem CID130088701
Molecular FormulaC11H8Cl2S
Molecular Weight243.16 g/mol
Exact Mass241.97
IUPAC Name3-(2,3-dichlorophenyl)-4-methylthiophene
SMILESCc1cscc1-c1cccc(Cl)c1Cl
InChIInChI=1S/C11H8Cl2S/c1-7-5-14-6-9(7)8-3-2-4-10(12)11(8)13/h2-6H,1H3
InChIKeyGGSNYTBUZUUQLR-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.16
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dichloro-3-(2-chloro-6-methylphenyl)benzene
CID 66251613
1,2-dichloro-3-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 118815271
4-(2,3-dichlorophenyl)-3-methylbenzaldehyde
CID 81448115
3,5-bis(2,3-dichlorophenyl)-4-methyl-1,2,4-triazole
CID 11617680
1-(2-tert-butylphenyl)-2,3-dichlorobenzene
CID 67807125
2-(2,3-dichlorophenyl)-4,5-dimethyl-1,3-thiazole
CID 143281745
3-(2,3-dichlorophenyl)-2-methylbenzoic acid
CID 53227646
3-(2,3-dichlorophenyl)-2,6-dimethyl-5-pyridin-4-ylpyridine
CID 56983111
methyl 3-(2,3-dichlorophenyl)-4-methylthiophene-2-carboxylate
CID 103172901
3,5-bis(2,3-dichlorophenyl)-4-fluoropyridine
CID 133090739
3-(2-chlorophenyl)-4-phenylthiophene
CID 134951243
CID 172733378
CID 172733378

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dichlorophenyl)-4-methylthiophene?
The IUPAC name of 3-(2,3-dichlorophenyl)-4-methylthiophene (CID 130088701) is 3-(2,3-dichlorophenyl)-4-methylthiophene.
What is the SMILES notation for 3-(2,3-dichlorophenyl)-4-methylthiophene?
The canonical SMILES for 3-(2,3-dichlorophenyl)-4-methylthiophene is Cc1cscc1-c1cccc(Cl)c1Cl.
What is the InChIKey of 3-(2,3-dichlorophenyl)-4-methylthiophene?
The InChIKey is GGSNYTBUZUUQLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2S/c1-7-5-14-6-9(7)8-3-2-4-10(12)11(8)13/h2-6H,1H3.
What are the key properties of 3-(2,3-dichlorophenyl)-4-methylthiophene?
3-(2,3-dichlorophenyl)-4-methylthiophene has a molecular weight of 243.16 g/mol, XLogP of 5.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dichlorophenyl)-4-methylthiophene is sourced from PubChem (CID 130088701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).