(5-methylthiophen-2-yl)-phenylmethanone

C12H10OS — CID 13356052

IUPAC(5-methylthiophen-2-yl)-phenylmethanone
SMILESCc1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C12H10OS/c1-9-7-8-11(14-9)12(13)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyNZQSKSSFQCFCMX-UHFFFAOYSA-N
MW202.28 g/mol
LogP3.29
Rot. Bonds2

About (5-methylthiophen-2-yl)-phenylmethanone

(5-methylthiophen-2-yl)-phenylmethanone (PubChem CID 13356052) has the molecular formula C12H10OS and a molecular weight of 202.28 g/mol. Its IUPAC name is (5-methylthiophen-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(5-methylthiophen-2-yl)-phenylmethanone
PubChem CID13356052
Molecular FormulaC12H10OS
Molecular Weight202.28 g/mol
Exact Mass202.05
IUPAC Name(5-methylthiophen-2-yl)-phenylmethanone
SMILESCc1ccc(C(=O)c2ccccc2)s1
InChIInChI=1S/C12H10OS/c1-9-7-8-11(14-9)12(13)10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyNZQSKSSFQCFCMX-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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Related Compounds

Tiaprofenic Acid
CID 5468
3-Methyl-2-acetylthiophene
CID 83653
2-Acetylbenzothiophene
CID 89805
3-Acetyl-2,5-dimethylthiophene
CID 520191
3-Acetylbenzothiophene
CID 14316
2-(2-Thienylmethylene)indane-1,3-dione
CID 730427
1-(4-(Phenylthio)phenyl)ethan-1-one
CID 66287
1-(5-Phenylthiophen-2-yl)ethan-1-one
CID 4962481
1-(4-(Methylthio)phenyl)ethan-1-one
CID 74501
(2E)-2-[(Thiophen-2-YL)methylidene]-2,3-dihydro-1H-inden-1-one
CID 2305465
2-Benzoylthiophene
CID 67262
Benzenecarbothioic acid, S-phenyl ester
CID 97117

Frequently Asked Questions

What is the IUPAC name of (5-methylthiophen-2-yl)-phenylmethanone?
The IUPAC name of (5-methylthiophen-2-yl)-phenylmethanone (CID 13356052) is (5-methylthiophen-2-yl)-phenylmethanone.
What is the SMILES notation for (5-methylthiophen-2-yl)-phenylmethanone?
The canonical SMILES for (5-methylthiophen-2-yl)-phenylmethanone is Cc1ccc(C(=O)c2ccccc2)s1.
What is the InChIKey of (5-methylthiophen-2-yl)-phenylmethanone?
The InChIKey is NZQSKSSFQCFCMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10OS/c1-9-7-8-11(14-9)12(13)10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of (5-methylthiophen-2-yl)-phenylmethanone?
(5-methylthiophen-2-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 (5-methylthiophen-2-yl)-phenylmethanone is sourced from PubChem (CID 13356052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).