6-(4-methylsulfanylpenta-1,2,3-trienyl)pyran-2-one

C11H10O2S — CID 101415107

IUPAC6-(4-methylsulfanylpenta-1,2,3-trienyl)pyran-2-one
SMILESCSC(C)=C=C=Cc1cccc(=O)o1
InChIInChI=1S/C11H10O2S/c1-9(14-2)5-3-6-10-7-4-8-11(12)13-10/h4,6-8H,1-2H3/b9-6+
InChIKeyUHKQQAVHSXDUBK-RMKNXTFCSA-N
MW206.27 g/mol
LogP2.67
Rot. Bonds2

About 6-(4-methylsulfanylpenta-1,2,3-trienyl)pyran-2-one

6-(4-methylsulfanylpenta-1,2,3-trienyl)pyran-2-one (PubChem CID 101415107) has the molecular formula C11H10O2S and a molecular weight of 206.27 g/mol. Its IUPAC name is 6-(4-methylsulfanylpenta-1,2,3-trienyl)pyran-2-one.

Molecular Properties

Compound Name6-(4-methylsulfanylpenta-1,2,3-trienyl)pyran-2-one
PubChem CID101415107
Molecular FormulaC11H10O2S
Molecular Weight206.27 g/mol
Exact Mass206.04
IUPAC Name6-(4-methylsulfanylpenta-1,2,3-trienyl)pyran-2-one
SMILESCSC(C)=C=C=Cc1cccc(=O)o1
InChIInChI=1S/C11H10O2S/c1-9(14-2)5-3-6-10-7-4-8-11(12)13-10/h4,6-8H,1-2H3/b9-6+
InChIKeyUHKQQAVHSXDUBK-RMKNXTFCSA-N
XLogP2.67
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(E)-prop-1-enyl]-pyran-2-one
CID 24972239
6-Prop-1-enylpyran-2-one
CID 74377084
Dayaolingzhilactone B
CID 146683527
Methyl 2-methylthio 2,4-pentadienoate
CID 13813235
9-Methylthio-2,4,8-decatriene-6-yn-4-olide
CID 129685391
Ethylthio-2,4,6-decatrien-8-yn-4-olide
CID 129685420
5-(3-Methylthio-2-hexen-4-ynylidene)-2(5h)-furanone
CID 129685537
Methyl 1-methylthiopyran-2-carboxylate
CID 134924244
6-Methylsulfanylpyran-2-one
CID 138976082
2H-Pyran-2-one, 6-[4,4-bis(methylthio)-1,2,3-butatrienyl]-
CID 609833
4-Methoxy-6-[(4-methoxy-6-oxopyran-2-yl)methylsulfanylmethyl]pyran-2-one
CID 14594798
dimethyl (Z)-2-[(4-methoxy-6-oxopyran-2-yl)methylsulfanyl]but-2-enedioate
CID 14594800

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylsulfanylpenta-1,2,3-trienyl)pyran-2-one?
The IUPAC name of 6-(4-methylsulfanylpenta-1,2,3-trienyl)pyran-2-one (CID 101415107) is 6-(4-methylsulfanylpenta-1,2,3-trienyl)pyran-2-one.
What is the SMILES notation for 6-(4-methylsulfanylpenta-1,2,3-trienyl)pyran-2-one?
The canonical SMILES for 6-(4-methylsulfanylpenta-1,2,3-trienyl)pyran-2-one is CSC(C)=C=C=Cc1cccc(=O)o1.
What is the InChIKey of 6-(4-methylsulfanylpenta-1,2,3-trienyl)pyran-2-one?
The InChIKey is UHKQQAVHSXDUBK-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H10O2S/c1-9(14-2)5-3-6-10-7-4-8-11(12)13-10/h4,6-8H,1-2H3/b9-6+.
What are the key properties of 6-(4-methylsulfanylpenta-1,2,3-trienyl)pyran-2-one?
6-(4-methylsulfanylpenta-1,2,3-trienyl)pyran-2-one has a molecular weight of 206.27 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylsulfanylpenta-1,2,3-trienyl)pyran-2-one is sourced from PubChem (CID 101415107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).