Name: Name:(4-Methoxyphenyl)(thiophen-2-yl)methanone
Brand: Angene
SKU: AG003BW9
Rating: 90 (10 reviews)

(4-Methoxyphenyl)(thiophen-2-yl)methanone

CAS No.:

4160-63-8

Catalog Number:

AG003BW9

Molecular Formula:

C12H10O2S

Molecular Weight:

218.2716

Pack Size

Purity

Availability

Location

Price(USD)

Quantity

>98.0%(GC)

1 week

United States

$102

- +

25g

>98.0%(GC)

1 week

United States

$249

- +

Product Description

Catalog Number:

AG003BW9

Chemical Name:

(4-Methoxyphenyl)(thiophen-2-yl)methanone

CAS Number:

4160-63-8

Molecular Formula:

C12H10O2S

Molecular Weight:

218.2716

MDL Number:

MFCD00005440

IUPAC Name:

(4-methoxyphenyl)-thiophen-2-ylmethanone

InChI:

InChI=1S/C12H10O2S/c1-14-10-6-4-9(5-7-10)12(13)11-3-2-8-15-11/h2-8H,1H3

InChI Key:

KYVBFEMQEUXVQB-UHFFFAOYSA-N

SMILES:

COc1ccc(cc1)C(=O)c1cccs1

EC Number:

223-997-6

NSC Number:

151248

Properties

Complexity:

222

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

218.04g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

218.27g/mol

Monoisotopic Mass:

218.04g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

54.5A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.2

Literature

Title	Journal
Identification and characterisation of new inhibitors for the human hematopoietic prostaglandin D2 synthase.	European journal of medicinal chemistry 20100201
Prediction of genotoxicity of chemical compounds by statistical learning methods.	Chemical research in toxicology 20050601

Properties