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CS-W001157 4
Total: USD 88.00

Isothiazole-3-carboxylic acid

  • CAS No. 4576-90-3

  • Cat. No. CS-0054866
  • Purity≥97%
  • MDL No.None
  • HazMat Fee +

    HazMat Fee

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it. There is a HazMat shipping fee for each item that qualifies as a dangerous good, except in the following scenarios:

    The shipment is processed through FedEx Ground under the Limited Quantity option.

    Each bottle is packed as an Excepted Quantity, with a maximum of 1g for items in class 6.1 packing group I or II, and up to 25g for all other hazardous materials.

    If shipping is charged to your FedEx account, the HazMat fee will be billed directly by the courier. Otherwise, the fee will be included on your invoice. To help you avoid the HazMat fee, we can package a 5g order of a class 6.1 packing group I or II material as five separate 1g units, and a 100g order of any other dangerous good as four 25g units. This packaging adjustment will be made unless you instruct otherwise on your purchase order. Below, you will find the fee schedule from FedEx for handling hazardous materials.

    Type
    HazMat Fee
    Excepted Quantity $0.00
    FedEx Limited Quantities Ground $0.00
    Hazmat Ground shipping $50.00+
    Inaccessible (Haz class 6.1 or 9), Domestic $68.00+
    Accessible (Haz class 3, 4, 5 or 8), Domestic $158.00+
    Inaccessible (Haz class 6.1 or 9), International $108.00+
    Accessible (Haz class 3, 4, 5 or 8), International $238.00+

    An item is classified as a dangerous good if our website displays Hazardous Material (HazMat) information for it.

    There is a HazMat shipping fee for each item that qualifies as a dangerous good. Please contact our quotation team via email to confirm the details.

*For research and further manufacturing use only, not for direct human use.

Isothiazole-3-carboxylic acid|CS-0054866

Structure of 4576-90-3

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Description

Isothiazole-3-carboxylic acid features a heterocyclic core with a carboxylic acid group at the 3-position, offering a rigid, electron-deficient scaffold ideal for bioactive molecule design. This moiety integrates readily into pharmaceutical candidates and agrochemicals, where its metabolic stability enhances functional longevity.

Application

Isothiazole-3-carboxylic acid serves as a versatile heterocyclic building block for medicinal chemistry and materials science, enabling the synthesis of bioactive compounds through established coupling and functionalization protocols. Its carboxylic acid group facilitates direct derivatization or amide formation, while the isothiazole core offers robust metabolic stability and favorable electronic properties. The compound exhibits excellent bench stability and compatibility with standard synthetic workflows, making it well-suited for high-throughput screening and process-scale applications.

General Information

  • CAS No. 4576-90-3
  • Cat. No. CS-0054866
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₃NO₂S
  • Molecular Weight 129.14
  • Synonym(s) 3-Isothiazolecarboxylic acid
  • SMILES OC(=O)C1=NSC=C1

Computational Chemistry Data

  • TPSA   50.19
  • LogP   0.8413
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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