Cas no 10313-98-1 (4-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)butanenitrile)
10313-98-1 structure
Product Name:4-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)butanenitrile
CAS No:10313-98-1
MF:C11H10N2O3S
MW:250.273701190948
CID:156529
PubChem ID:239730
Update Time:2025-04-19
4-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)butanenitrile Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzisothiazole-2(3H)-butanenitrile,3-oxo-, 1,1-dioxide
- 4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butanenitrile
- 2-(3-cyano-propyl)-1,2-benzothiazolin-3-one 1,1-dioxide
- 3-(2,3-Dihydro-1,1-dioxido-3-oxo-1,2-benzisothiazol-2-yl)-1-cyanopropane
- 4-(1,1-dioxido-3-oxo-1,2-benzothiazol-2(3h)-yl)butanenitrile
- AC1L63PD
- AC1Q6FNF
- AC1Q6K87
- AR-1F5508
- BBL025590
- CTK4A1768
- NSC45115
- 10313-98-1
- DTXSID70286379
- AKOS000167290
- 4-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)butanenitrile
- SCHEMBL10908151
- BDBM50496472
- NSC-45115
- CHEMBL3125557
- 4-(1,1-Dioxido-3-oxobenzo[d]isothiazol-2(3H)-yl)butanenitrile
- STL364462
- 4-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)butanenitrile
-
- Inchi： 1S/C11H10N2O3S/c12-7-3-4-8-13-11(14)9-5-1-2-6-10(9)17(13,15)16/h1-2,5-6H,3-4,8H2
- InChI Key： NANSEMNYDSVDBY-UHFFFAOYSA-N
- SMILES： S1(C2C=CC=CC=2C(N1CCCC#N)=O)(=O)=O
Computed Properties
- Exact Mass: 250.0413
- Monoisotopic Mass: 250.041
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 457
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.6
- Topological Polar Surface Area: 86.6?2
Experimental Properties
- Density: 1.4±0.1 g/cm3
- Boiling Point: 493.5±47.0 °C at 760 mmHg
- Flash Point: 252.3±29.3 °C
- Refractive Index: 1.602
- PSA: 78.24
- LogP: 2.15358
- Vapor Pressure: 0.0±1.3 mmHg at 25°C
4-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)butanenitrile Security Information
- Signal Word：warning
- Hazard Statement： H303+H313+H333
- Warning Statement： P264+P280+P305+P351+P338+P337+P313
- Safety Instruction： H303+H313+H333
- Storage Condition：storage at -4℃ (1-2weeks), longer storage period at -20℃ (1-2years)
4-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)butanenitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | D486090-10mg |
4-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)butanenitrile |
10313-98-1 | 10mg |
$ 50.00 | 2022-06-05 | ||
| TRC | D486090-50mg |
4-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)butanenitrile |
10313-98-1 | 50mg |
$ 135.00 | 2022-06-05 | ||
| TRC | D486090-100mg |
4-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)butanenitrile |
10313-98-1 | 100mg |
$ 210.00 | 2022-06-05 |
4-(1,1-Dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)butanenitrile Related Literature
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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