Cas no 85030-09-7 (2-(3-aminopropyl)-1,2-benzisothiazol-3(2h)-one)
85030-09-7 structure
Product Name:2-(3-aminopropyl)-1,2-benzisothiazol-3(2h)-one
CAS No:85030-09-7
MF:C10H12N2OS
MW:208.280080795288
CID:887700
PubChem ID:16205558
Update Time:2025-04-19
2-(3-aminopropyl)-1,2-benzisothiazol-3(2h)-one Chemical and Physical Properties
Names and Identifiers
-
- 2-(3-aminopropyl)-1,2-benzisothiazol-3(2h)-one
- 2-(3-aminopropyl)-1,2-benzothiazol-3-one
- 85030-09-7
- 1,2-BENZISOTHIAZOL-3(2H)-ONE, 2-(3-AMINOPROPYL)-
- NS00060831
- Q27275121
- C33HP08GV7
- EINECS 285-133-4
- DTXSID701005391
- 2-(3-Aminopropyl)-1,2-benzothiazol-3(2H)-one
- SCHEMBL79983
- UNII-C33HP08GV7
- AKOS020013302
-
- Inchi: 1S/C10H12N2OS/c11-6-3-7-12-10(13)8-4-1-2-5-9(8)14-12/h1-2,4-5H,3,6-7,11H2
- InChI Key: UORBMPNLYIVOCG-UHFFFAOYSA-N
- SMILES: S1C2C=CC=CC=2C(N1CCCN)=O
Computed Properties
- Exact Mass: 208.067034
- Monoisotopic Mass: 208.067034
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 222
- 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
- Topological Polar Surface Area: 71.6
- XLogP3: 0.9
Experimental Properties
- Density: 1.275
- Boiling Point: 375.5°C at 760 mmHg
- Flash Point: 180.9°C
- Refractive Index: 1.636
2-(3-aminopropyl)-1,2-benzisothiazol-3(2h)-one Related Literature
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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