1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone

C14H13BrO2S2 — CID 64637812

IUPAC1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone
SMILESCc1ccc(S(=O)CC(=O)c2sccc2Br)c(C)c1
InChIInChI=1S/C14H13BrO2S2/c1-9-3-4-13(10(2)7-9)19(17)8-12(16)14-11(15)5-6-18-14/h3-7H,8H2,1-2H3
InChIKeyHPIJTBAFMHOOKV-UHFFFAOYSA-N
MW357.29 g/mol
LogP4.12
Rot. Bonds4

About 1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone

1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone (PubChem CID 64637812) has the molecular formula C14H13BrO2S2 and a molecular weight of 357.29 g/mol. Its IUPAC name is 1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone.

Molecular Properties

Compound Name1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone
PubChem CID64637812
Molecular FormulaC14H13BrO2S2
Molecular Weight357.29 g/mol
Exact Mass355.95
IUPAC Name1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone
SMILESCc1ccc(S(=O)CC(=O)c2sccc2Br)c(C)c1
InChIInChI=1S/C14H13BrO2S2/c1-9-3-4-13(10(2)7-9)19(17)8-12(16)14-11(15)5-6-18-14/h3-7H,8H2,1-2H3
InChIKeyHPIJTBAFMHOOKV-UHFFFAOYSA-N
XLogP4.12
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.29
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4-dimethylphenyl)sulfinylpentan-2-one
CID 64637633
1-(3-bromothiophen-2-yl)-2-propylsulfinylethanone
CID 64638480
1-cyclopropyl-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637629
1-(4-chlorophenyl)-2-(2,4-dimethylphenyl)sulfinylethanone
CID 64637447
1-(3-bromothiophen-2-yl)-2-(4-chlorophenyl)sulfinylethanone
CID 64636279
2-(2,4-dimethylphenyl)sulfinyl-1-(3-fluorophenyl)ethanone
CID 64637459
2-(2,5-dimethylphenyl)sulfinyl-1-thiophen-2-ylethanone
CID 64637062
1-(3-bromothiophen-2-yl)-2-(3-methylphenoxy)ethanone
CID 43799889
1-(2,4-dimethylphenyl)-2-(2-methylphenyl)sulfinylethanone
CID 64639745
2-[2-(3-bromothiophen-2-yl)-2-oxoethyl]sulfinyl-N-propylacetamide
CID 114233015
3-bromo-N-[1-(2,5-dimethylphenyl)ethyl]thiophene-2-carboxamide
CID 47219608
1-(3-bromothiophen-2-yl)-2-[(3-methylphenyl)methylsulfanyl]ethanone
CID 62770404

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone?
The IUPAC name of 1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone (CID 64637812) is 1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone.
What is the SMILES notation for 1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone?
The canonical SMILES for 1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone is Cc1ccc(S(=O)CC(=O)c2sccc2Br)c(C)c1.
What is the InChIKey of 1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone?
The InChIKey is HPIJTBAFMHOOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrO2S2/c1-9-3-4-13(10(2)7-9)19(17)8-12(16)14-11(15)5-6-18-14/h3-7H,8H2,1-2H3.
What are the key properties of 1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone?
1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone has a molecular weight of 357.29 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromothiophen-2-yl)-2-(2,4-dimethylphenyl)sulfinylethanone is sourced from PubChem (CID 64637812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).