6-methylsulfanyl-1-thiophen-2-ylhexane-1,4-dione

C11H14O2S2 — CID 102027576

IUPAC6-methylsulfanyl-1-thiophen-2-ylhexane-1,4-dione
SMILESCSCCC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C11H14O2S2/c1-14-8-6-9(12)4-5-10(13)11-3-2-7-15-11/h2-3,7H,4-6,8H2,1H3
InChIKeyRHPKMNOHNNFHGT-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.03
Rot. Bonds7

About 6-methylsulfanyl-1-thiophen-2-ylhexane-1,4-dione

6-methylsulfanyl-1-thiophen-2-ylhexane-1,4-dione (PubChem CID 102027576) has the molecular formula C11H14O2S2 and a molecular weight of 242.36 g/mol. Its IUPAC name is 6-methylsulfanyl-1-thiophen-2-ylhexane-1,4-dione.

Molecular Properties

Compound Name6-methylsulfanyl-1-thiophen-2-ylhexane-1,4-dione
PubChem CID102027576
Molecular FormulaC11H14O2S2
Molecular Weight242.36 g/mol
Exact Mass242.04
IUPAC Name6-methylsulfanyl-1-thiophen-2-ylhexane-1,4-dione
SMILESCSCCC(=O)CCC(=O)c1cccs1
InChIInChI=1S/C11H14O2S2/c1-14-8-6-9(12)4-5-10(13)11-3-2-7-15-11/h2-3,7H,4-6,8H2,1H3
InChIKeyRHPKMNOHNNFHGT-UHFFFAOYSA-N
XLogP3.03
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Thenoyltrifluoroacetone
CID 5601
2-Acetylthiophene
CID 6920
2-Propionylthiophene
CID 26179
2-Acetyl-5-methylthiophene
CID 83655
5-Ethyl-2-thiophenecarboxaldehyde
CID 169830
2-Butanoylthiophene
CID 79248
2-Pentanoylthiophene
CID 574100
3-(2-Thenoyl)propionic acid
CID 78385
1,4-di(2'-Thienyl)-1,4-butadione
CID 151814
1,3-Hexanedione, 4,4,5,5,6,6,6-heptafluoro-1-(2-thienyl)-
CID 68411
5-Acetyl-2,2'-bithienyl
CID 606422
Benzo(b)thiophene-4,7-dione, 6-(3,7,11,15,19,23-hexamethyltetracosyl)-5-(methylthio)-
CID 194166

Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-1-thiophen-2-ylhexane-1,4-dione?
The IUPAC name of 6-methylsulfanyl-1-thiophen-2-ylhexane-1,4-dione (CID 102027576) is 6-methylsulfanyl-1-thiophen-2-ylhexane-1,4-dione.
What is the SMILES notation for 6-methylsulfanyl-1-thiophen-2-ylhexane-1,4-dione?
The canonical SMILES for 6-methylsulfanyl-1-thiophen-2-ylhexane-1,4-dione is CSCCC(=O)CCC(=O)c1cccs1.
What is the InChIKey of 6-methylsulfanyl-1-thiophen-2-ylhexane-1,4-dione?
The InChIKey is RHPKMNOHNNFHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O2S2/c1-14-8-6-9(12)4-5-10(13)11-3-2-7-15-11/h2-3,7H,4-6,8H2,1H3.
What are the key properties of 6-methylsulfanyl-1-thiophen-2-ylhexane-1,4-dione?
6-methylsulfanyl-1-thiophen-2-ylhexane-1,4-dione has a molecular weight of 242.36 g/mol, XLogP of 3.03, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-1-thiophen-2-ylhexane-1,4-dione is sourced from PubChem (CID 102027576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).