N-(2-NITROPHENYLTHIO)SACCHARIN

Modify Date: 2025-08-25 17:18:26

N-(2-NITROPHENYLTHIO)SACCHARIN Structure
N-(2-NITROPHENYLTHIO)SACCHARIN structure
Common Name N-(2-NITROPHENYLTHIO)SACCHARIN
CAS Number 16239-03-5 Molecular Weight 336.34300
Density 1.71g/cm3 Boiling Point 554.6ºC at 760mmHg
Molecular Formula C13H8N2O5S2 Melting Point N/A
MSDS N/A Flash Point 289.2ºC

 Names

Name 2-(2-nitrophenyl)sulfanyl-1,1-dioxo-1,2-benzothiazol-3-one

 Chemical & Physical Properties

Density 1.71g/cm3
Boiling Point 554.6ºC at 760mmHg
Molecular Formula C13H8N2O5S2
Molecular Weight 336.34300
Flash Point 289.2ºC
Exact Mass 335.98700
PSA 133.95000
LogP 3.98850
Vapour Pressure 2.42E-12mmHg at 25°C
Index of Refraction 1.762
InChIKey XTEABMFZLAEEKX-UHFFFAOYSA-N
SMILES O=C1c2ccccc2S(=O)(=O)N1Sc1ccccc1[N+](=O)[O-]

 Synthetic Route

~84%

N-(2-NITROPHENYLTHIO)SACCHARIN Structure

N-(2-NITROPHENY...

CAS#:16239-03-5

Literature: Romani; Bovermann; Moroder; Wunsch Synthesis, 1985 , vol. NO. 5, p. 512 - 513

~%

N-(2-NITROPHENYLTHIO)SACCHARIN Structure

N-(2-NITROPHENY...

CAS#:16239-03-5

Literature: Furukawa,M. et al. Synthesis, 1975 , p. 165 - 167

 N-(2-NITROPHENYLTHIO)SACCHARINBioassay

View more

Name: Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by sto...
Source: ChEMBL
Target: Carbonic anhydrase 12
External Id: CHEMBL3762504
Name: Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stop...
Source: ChEMBL
Target: Carbonic anhydrase 9
External Id: CHEMBL3762503
Name: Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stop...
Source: ChEMBL
Target: Carbonic anhydrase 2
External Id: CHEMBL3762502
Name: Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stop...
Source: ChEMBL
Target: Carbonic anhydrase 1
External Id: CHEMBL3762501
Name: HIV Cellular Data
Source: NIAID
Target: N/A
External Id: HIV Cellular Data
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