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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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).