2131-61-5 | 4-Nitrophenyl isothiocyanate

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$25.00	$18.00
5g	95%	in stock	$48.00	$34.00
25g	95%	in stock	$125.00	$88.00
100g	95%	in stock	$494.00	$346.00

Description

• Catalog Number: AB68136
• Chemical Name: 4-Nitrophenyl isothiocyanate
• CAS Number: 2131-61-5
• Molecular Formula: C7H4N2O2S
• Molecular Weight: 180.18386000000004
• MDL Number: MFCD00007307
• SMILES: S=C=Nc1ccc(cc1)N(=O)=O
• NSC Number: 84691

Computed Properties

• Complexity: 212
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• XLogP3: 3.6

Literature

• 3-(2-Chloro-phen-yl)-4-(4-nitro-phen-yl)-1H-1,2,4-triazole-5(4H)-thione.

  Acta crystallographica. Section E, Structure reports online 20110701

• A new pre-column derivatization method for determination of gabapentin in human serum by HPLC using UV detection.

  Journal of chromatographic science 20100101

• Zwitterionic salts as mild organocatalysts for transesterification.

  Organic letters 20080605

• (E)-O-Isopropyl N-(4-nitro-phen-yl)thio-carbamate.

  Acta crystallographica. Section E, Structure reports online 20080101

• Heteroarotinoids with anti-cancer activity against ovarian cancer cells.

  The open medicinal chemistry journal 20070101