(2-methylthiophen-3-yl)-phenylmethanone

C12H10OS — CID 67452716

IUPAC(2-methylthiophen-3-yl)-phenylmethanone
SMILESCc1sccc1C(=O)c1ccccc1
InChIInChI=1S/C12H10OS/c1-9-11(7-8-14-9)12(13)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyZDMOCEVJOFANFF-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.29
Rot. Bonds2

About (2-methylthiophen-3-yl)-phenylmethanone

(2-methylthiophen-3-yl)-phenylmethanone (PubChem CID 67452716) has the molecular formula C12H10OS and a molecular weight of 202.28 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-phenylmethanone
PubChem CID67452716
Molecular FormulaC12H10OS
Molecular Weight202.28 g/mol
Exact Mass202.05
IUPAC Name(2-methylthiophen-3-yl)-phenylmethanone
SMILESCc1sccc1C(=O)c1ccccc1
InChIInChI=1S/C12H10OS/c1-9-11(7-8-14-9)12(13)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyZDMOCEVJOFANFF-UHFFFAOYSA-N
XLogP3.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-methylthiophen-3-yl)-phenylmethanone?
The IUPAC name of (2-methylthiophen-3-yl)-phenylmethanone (CID 67452716) is (2-methylthiophen-3-yl)-phenylmethanone.
What is the SMILES notation for (2-methylthiophen-3-yl)-phenylmethanone?
The canonical SMILES for (2-methylthiophen-3-yl)-phenylmethanone is Cc1sccc1C(=O)c1ccccc1.
What is the InChIKey of (2-methylthiophen-3-yl)-phenylmethanone?
The InChIKey is ZDMOCEVJOFANFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS/c1-9-11(7-8-14-9)12(13)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of (2-methylthiophen-3-yl)-phenylmethanone?
(2-methylthiophen-3-yl)-phenylmethanone has a molecular weight of 202.28 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylthiophen-3-yl)-phenylmethanone is sourced from PubChem (CID 67452716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).