bis(3,4,5-trimethylthiophen-2-yl)methanone

C15H18OS2 — CID 100930216

IUPACbis(3,4,5-trimethylthiophen-2-yl)methanone
SMILESCc1sc(C(=O)c2sc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C15H18OS2/c1-7-9(3)14(17-11(7)5)13(16)15-10(4)8(2)12(6)18-15/h1-6H3
InChIKeyKVMSQSJWSJCIPB-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.89
Rot. Bonds2

About bis(3,4,5-trimethylthiophen-2-yl)methanone

bis(3,4,5-trimethylthiophen-2-yl)methanone (PubChem CID 100930216) has the molecular formula C15H18OS2 and a molecular weight of 278.44 g/mol. Its IUPAC name is bis(3,4,5-trimethylthiophen-2-yl)methanone.

Molecular Properties

Compound Namebis(3,4,5-trimethylthiophen-2-yl)methanone
PubChem CID100930216
Molecular FormulaC15H18OS2
Molecular Weight278.44 g/mol
Exact Mass278.08
IUPAC Namebis(3,4,5-trimethylthiophen-2-yl)methanone
SMILESCc1sc(C(=O)c2sc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C15H18OS2/c1-7-9(3)14(17-11(7)5)13(16)15-10(4)8(2)12(6)18-15/h1-6H3
InChIKeyKVMSQSJWSJCIPB-UHFFFAOYSA-N
XLogP4.89
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(3,4,5-trimethylthiophen-2-yl)methanone?
The IUPAC name of bis(3,4,5-trimethylthiophen-2-yl)methanone (CID 100930216) is bis(3,4,5-trimethylthiophen-2-yl)methanone.
What is the SMILES notation for bis(3,4,5-trimethylthiophen-2-yl)methanone?
The canonical SMILES for bis(3,4,5-trimethylthiophen-2-yl)methanone is Cc1sc(C(=O)c2sc(C)c(C)c2C)c(C)c1C.
What is the InChIKey of bis(3,4,5-trimethylthiophen-2-yl)methanone?
The InChIKey is KVMSQSJWSJCIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18OS2/c1-7-9(3)14(17-11(7)5)13(16)15-10(4)8(2)12(6)18-15/h1-6H3.
What are the key properties of bis(3,4,5-trimethylthiophen-2-yl)methanone?
bis(3,4,5-trimethylthiophen-2-yl)methanone has a molecular weight of 278.44 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3,4,5-trimethylthiophen-2-yl)methanone is sourced from PubChem (CID 100930216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).