bis(3-methylthiophen-2-yl)methanone

C11H10OS2 — CID 901526

IUPACbis(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)c1sccc1C
InChIInChI=1S/C11H10OS2/c1-7-3-5-13-10(7)9(12)11-8(2)4-6-14-11/h3-6H,1-2H3
InChIKeyNFISSTVAZSIYAT-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.66
Rot. Bonds2

About bis(3-methylthiophen-2-yl)methanone

bis(3-methylthiophen-2-yl)methanone (PubChem CID 901526) has the molecular formula C11H10OS2 and a molecular weight of 222.33 g/mol. Its IUPAC name is bis(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Namebis(3-methylthiophen-2-yl)methanone
PubChem CID901526
Molecular FormulaC11H10OS2
Molecular Weight222.33 g/mol
Exact Mass222.02
IUPAC Namebis(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)c1sccc1C
InChIInChI=1S/C11H10OS2/c1-7-3-5-13-10(7)9(12)11-8(2)4-6-14-11/h3-6H,1-2H3
InChIKeyNFISSTVAZSIYAT-UHFFFAOYSA-N
XLogP3.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of bis(3-methylthiophen-2-yl)methanone?
The IUPAC name of bis(3-methylthiophen-2-yl)methanone (CID 901526) is bis(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for bis(3-methylthiophen-2-yl)methanone?
The canonical SMILES for bis(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)c1sccc1C.
What is the InChIKey of bis(3-methylthiophen-2-yl)methanone?
The InChIKey is NFISSTVAZSIYAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10OS2/c1-7-3-5-13-10(7)9(12)11-8(2)4-6-14-11/h3-6H,1-2H3.
What are the key properties of bis(3-methylthiophen-2-yl)methanone?
bis(3-methylthiophen-2-yl)methanone has a molecular weight of 222.33 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 901526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).