(1-Methylethyl)carbamic acid 3-(3-oxo-1,2-benzisothiazol-2(3H)-yl)propyl ester

Base Information

• Chemical Name: (1-Methylethyl)carbamic acid 3-(3-oxo-1,2-benzisothiazol-2(3H)-yl)propyl ester
• CAS No.: 199172-86-6
• Molecular Formula: C14H18 N2 O3 S
• UNII: 7KHK7300LN
• DSSTox Substance ID: DTXSID60941804
• Nikkaji Number: J892.180F
• Wikidata: Q82918717

Synonyms:7KHK7300LN;UNII-7KHK7300LN;199172-86-6;(1-Methylethyl)carbamic acid 3-(3-oxo-1,2-benzisothiazol-2(3H)-yl)propyl ester;DTXSID60941804;3-(3-Oxo-1,2-benzothiazol-2(3H)-yl)propyl hydrogen propan-2-ylcarbonimidate;N-Isopropylcarbamic acid 3-[(2,3-dihydro-3-oxo-1,2-benzisothiazol)-2-yl]propyl ester;CARBAMIC ACID, (1-METHYLETHYL)-, 3-(3-OXO-1,2-BENZISOTHIAZOL-2(3H)-YL)PROPYL ESTER

Chemical Property of (1-Methylethyl)carbamic acid 3-(3-oxo-1,2-benzisothiazol-2(3H)-yl)propyl ester

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 294.10381361
• Heavy Atom Count: 20
• Complexity: 362

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MSDS Files:

Useful:

• Canonical SMILES: CC(C)NC(=O)OCCCN1C(=O)C2=CC=CC=C2S1

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