13414-95-4 | 4-Keto-4,5,6,7-tetrahydrothianaphthene

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$19.00	$13.00
5g	95%	in stock	$29.00	$20.00
10g	95%	in stock	$52.00	$36.00
25g	95%	in stock	$128.00	$90.00

Description

• Catalog Number: AB69608
• Chemical Name: 4-Keto-4,5,6,7-tetrahydrothianaphthene
• CAS Number: 13414-95-4
• Molecular Formula: C8H8OS
• Molecular Weight: 152.2135
• MDL Number: MFCD00005861
• SMILES: O=C1CCCc2c1ccs2
• NSC Number: 99002

Computed Properties

• Complexity: 155
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 10
• Hydrogen Bond Acceptor Count: 2
• XLogP3: 1.7

Literature

• Prediction of genotoxicity of chemical compounds by statistical learning methods.

  Chemical research in toxicology 20050601