1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfanylethanone

C14H14O2S2 — CID 43801932

IUPAC1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfanylethanone
SMILESCOc1cc(C)ccc1C(=O)CSc1cccs1
InChIInChI=1S/C14H14O2S2/c1-10-5-6-11(13(8-10)16-2)12(15)9-18-14-4-3-7-17-14/h3-8H,9H2,1-2H3
InChIKeyNFAIGNCLQARESD-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.04
Rot. Bonds5

About 1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfanylethanone

1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfanylethanone (PubChem CID 43801932) has the molecular formula C14H14O2S2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfanylethanone.

Molecular Properties

Compound Name1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfanylethanone
PubChem CID43801932
Molecular FormulaC14H14O2S2
Molecular Weight278.40 g/mol
Exact Mass278.04
IUPAC Name1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfanylethanone
SMILESCOc1cc(C)ccc1C(=O)CSc1cccs1
InChIInChI=1S/C14H14O2S2/c1-10-5-6-11(13(8-10)16-2)12(15)9-18-14-4-3-7-17-14/h3-8H,9H2,1-2H3
InChIKeyNFAIGNCLQARESD-UHFFFAOYSA-N
XLogP4.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 43232681
1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfinylethanone
CID 64640483
1-(2-methoxy-4-methylphenyl)-2-pyridin-2-ylsulfanylethanone
CID 43802368
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-thiophen-2-ylsulfanylethanone
CID 43801933
2-[2-(2-methoxy-4-methylphenyl)-2-oxoethyl]sulfanyl-N,N-dimethylacetamide
CID 114234153
2-(3-hydroxy-2-methylpropyl)sulfanyl-1-(2-methoxy-4-methylphenyl)ethanone
CID 66102960
1-(2-methoxy-4-methylphenyl)-2-(4-methylpiperazin-1-yl)ethanone
CID 43794429
2-(3,5-dimethylphenyl)-1-(2-methoxy-4-methylphenyl)ethanone
CID 106790381
1-(2-methoxy-4-methylphenyl)-2-thiomorpholin-4-ylethanone
CID 62050975
1-(5-bromothiophen-2-yl)-2-thiophen-2-ylsulfanylethanone
CID 43801859
1-(2-methoxy-4-methylphenyl)-2-(2-methylsulfonylethylsulfinyl)ethanone
CID 64635480
1-(2-methoxy-4-methylphenyl)-3-thiophen-3-ylpropan-1-one
CID 106790018

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfanylethanone?
The IUPAC name of 1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfanylethanone (CID 43801932) is 1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfanylethanone.
What is the SMILES notation for 1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfanylethanone?
The canonical SMILES for 1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfanylethanone is COc1cc(C)ccc1C(=O)CSc1cccs1.
What is the InChIKey of 1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfanylethanone?
The InChIKey is NFAIGNCLQARESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S2/c1-10-5-6-11(13(8-10)16-2)12(15)9-18-14-4-3-7-17-14/h3-8H,9H2,1-2H3.
What are the key properties of 1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfanylethanone?
1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfanylethanone has a molecular weight of 278.40 g/mol, XLogP of 4.04, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-4-methylphenyl)-2-thiophen-2-ylsulfanylethanone is sourced from PubChem (CID 43801932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).