bis(2-methylthiophen-3-yl)methanone

C11H10OS2 — CID 101441488

IUPACbis(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)c1ccsc1C
InChIInChI=1S/C11H10OS2/c1-7-9(3-5-13-7)11(12)10-4-6-14-8(10)2/h3-6H,1-2H3
InChIKeyRMLIATNBGNZSEF-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.66
Rot. Bonds2

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

bis(2-methylthiophen-3-yl)methanone (PubChem CID 101441488) has the molecular formula C11H10OS2 and a molecular weight of 222.33 g/mol. Its IUPAC name is bis(2-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Namebis(2-methylthiophen-3-yl)methanone
PubChem CID101441488
Molecular FormulaC11H10OS2
Molecular Weight222.33 g/mol
Exact Mass222.02
IUPAC Namebis(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)c1ccsc1C
InChIInChI=1S/C11H10OS2/c1-7-9(3-5-13-7)11(12)10-4-6-14-8(10)2/h3-6H,1-2H3
InChIKeyRMLIATNBGNZSEF-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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Related Compounds

(2-chlorophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830683
(2,3-dimethylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102839866
(2-methylthiophen-3-yl)-thiophen-2-ylmethanone
CID 102830577
(2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone
CID 107967869
(2-fluoro-4-methylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102839725
(2-methylthiophen-3-yl)-pyrimidin-2-ylmethanone
CID 102830634
(2-methylthiophen-3-yl)-(2,3,4-trimethoxyphenyl)methanone
CID 102839751
(2-amino-4-chlorophenyl)-(2-methylthiophen-3-yl)methanone
CID 102830780
(4-bromo-3,5-dimethylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102831155
furan-2-yl-(2-methylthiophen-3-yl)methanone
CID 102830703
(2-methylthiophen-3-yl)-pyridazin-4-ylmethanone
CID 102840057
(2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102840121

Frequently Asked Questions

What is the IUPAC name of bis(2-methylthiophen-3-yl)methanone?
The IUPAC name of bis(2-methylthiophen-3-yl)methanone (CID 101441488) is bis(2-methylthiophen-3-yl)methanone.
What is the SMILES notation for bis(2-methylthiophen-3-yl)methanone?
The canonical SMILES for bis(2-methylthiophen-3-yl)methanone is Cc1sccc1C(=O)c1ccsc1C.
What is the InChIKey of bis(2-methylthiophen-3-yl)methanone?
The InChIKey is RMLIATNBGNZSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10OS2/c1-7-9(3-5-13-7)11(12)10-4-6-14-8(10)2/h3-6H,1-2H3.
What are the key properties of bis(2-methylthiophen-3-yl)methanone?
bis(2-methylthiophen-3-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(2-methylthiophen-3-yl)methanone is sourced from PubChem (CID 101441488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).