2,4-bis(4-methylthiophen-2-yl)pentan-3-one

C15H18OS2 — CID 67705817

IUPAC2,4-bis(4-methylthiophen-2-yl)pentan-3-one
SMILESCc1csc(C(C)C(=O)C(C)c2cc(C)cs2)c1
InChIInChI=1S/C15H18OS2/c1-9-5-13(17-7-9)11(3)15(16)12(4)14-6-10(2)8-18-14/h5-8,11-12H,1-4H3
InChIKeyJEVPCSIOGDCNPB-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.90
Rot. Bonds4

About 2,4-bis(4-methylthiophen-2-yl)pentan-3-one

2,4-bis(4-methylthiophen-2-yl)pentan-3-one (PubChem CID 67705817) has the molecular formula C15H18OS2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2,4-bis(4-methylthiophen-2-yl)pentan-3-one.

Molecular Properties

Compound Name2,4-bis(4-methylthiophen-2-yl)pentan-3-one
PubChem CID67705817
Molecular FormulaC15H18OS2
Molecular Weight278.44 g/mol
Exact Mass278.08
IUPAC Name2,4-bis(4-methylthiophen-2-yl)pentan-3-one
SMILESCc1csc(C(C)C(=O)C(C)c2cc(C)cs2)c1
InChIInChI=1S/C15H18OS2/c1-9-5-13(17-7-9)11(3)15(16)12(4)14-6-10(2)8-18-14/h5-8,11-12H,1-4H3
InChIKeyJEVPCSIOGDCNPB-UHFFFAOYSA-N
XLogP4.90
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylthiophen-2-yl)propanamide
CID 90822856
3-methyl-2-(4-methylthiophen-2-yl)butanoic acid
CID 23317022
(1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine
CID 55293617
1-amino-1-(4-methylthiophen-2-yl)propan-2-ol
CID 55283060
2-amino-1-(4-methylthiophen-2-yl)propan-1-ol
CID 19422956
(3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid
CID 130623525
2-(4-methylthiophen-2-yl)-1-morpholin-2-ylpropan-1-one
CID 175355720
2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanol
CID 144518338
methyl 3-amino-3-(4-methylthiophen-2-yl)propanoate
CID 57362735
S-[2,3-dihydroxy-3-(4-methylthiophen-2-yl)propyl] ethanethioate
CID 170823289
ethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine
CID 156724928
amino 2-(4-bromothiophen-2-yl)propanoate
CID 90857194

Frequently Asked Questions

What is the IUPAC name of 2,4-bis(4-methylthiophen-2-yl)pentan-3-one?
The IUPAC name of 2,4-bis(4-methylthiophen-2-yl)pentan-3-one (CID 67705817) is 2,4-bis(4-methylthiophen-2-yl)pentan-3-one.
What is the SMILES notation for 2,4-bis(4-methylthiophen-2-yl)pentan-3-one?
The canonical SMILES for 2,4-bis(4-methylthiophen-2-yl)pentan-3-one is Cc1csc(C(C)C(=O)C(C)c2cc(C)cs2)c1.
What is the InChIKey of 2,4-bis(4-methylthiophen-2-yl)pentan-3-one?
The InChIKey is JEVPCSIOGDCNPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS2/c1-9-5-13(17-7-9)11(3)15(16)12(4)14-6-10(2)8-18-14/h5-8,11-12H,1-4H3.
What are the key properties of 2,4-bis(4-methylthiophen-2-yl)pentan-3-one?
2,4-bis(4-methylthiophen-2-yl)pentan-3-one has a molecular weight of 278.44 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(4-methylthiophen-2-yl)pentan-3-one is sourced from PubChem (CID 67705817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).