3-((1,1-Dioxidobenzo[d]isothiazol-3-yl)amino)propyl 2-bromobutanoate

Name: 3-((1,1-Dioxidobenzo[d]isothiazol-3-yl)amino)propyl 2-bromobutanoate
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CAS No. 591212-97-4
Cat. No. CS-0326912
Purity≥97%
MDL No.None

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3-((1,1-Dioxidobenzo[d]isothiazol-3-yl)amino)propyl 2-bromobutanoate|CS-0326912

Structure of 591212-97-4

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General Information

CAS No. 591212-97-4
Cat. No. CS-0326912
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₄H₁₇BrN₂O₄S
Molecular Weight 389.26
Synonym(s) 3-[(1,1-Dioxido-1,2-benzisothiazol-3-yl)amino]-propyl 2-bromobutanoate
SMILES CCC(Br)C(OCCCNC(C1=C2C=CC=C1)=NS2(=O)=O)=O

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 84.83
LogP 1.8319
H_Acceptors 5
H_Donors 1
Rotatable_Bonds 6

Other Classifications

Building Blocks Functional Group Bromide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Benzoisothiazole compounds

Key Words

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3-((1,1-Dioxidobenzo[d]isothiazol-3-yl)amino)propyl 2-bromobutanoate

CAS No. 591212-97-4

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