Cas no 91950-12-8 ( )
structure
Product Name:
CAS No:91950-12-8
MF:C10H11NO3S
MW:225.264241456985
CID:997642
PubChem ID:236542
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
-
- 1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-one
- N-Isopropyl-saccharin
- isopropylsaccharin
- QNERCWAWQBNQQV-UHFFFAOYSA-N
- 91950-12-8
- SCHEMBL9325487
- DTXSID40284807
- NSC39123
- 2-(Propan-2-yl)-1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione
- 2-ISOPROPYL-1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE
- NSC-39123
-
-
- Inchi： 1S/C10H11NO3S/c1-7(2)11-10(12)8-5-3-4-6-9(8)15(11,13)14/h3-7H,1-2H3
- InChI Key： QNERCWAWQBNQQV-UHFFFAOYSA-N
- SMILES： S1(C2C=CC=CC=2C(N1C(C)C)=O)(=O)=O
Computed Properties
- Exact Mass: 225.04600
- Monoisotopic Mass: 225.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 369
- 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: 1.4
- Topological Polar Surface Area: 62.8?2
Experimental Properties
- Density: 1.367
- Boiling Point: 374.4°C at 760 mmHg
- Flash Point: 180.2°C
- Refractive Index: 1.595
- PSA: 62.83000
- LogP: 2.25820
Customs Data
- HS CODE：2934100090
- Customs Data：
China Customs Code:
2934100090Overview:
2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%
Related Literature
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
-
Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Kui Wu,Zhihua Yang,Shilie Pan Dalton Trans., 2015,44, 19856-19864
-
Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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