Catalog No.:AA00C6Q0

380442-79-5 | Ethyl 5-amino-2-phenyl-3-thioxo-2,3-dihydroisothiazole-4-carboxylate

Name: Name:Ethyl 5-amino-2-phenyl-3-thioxo-2,3-dihydroisothiazole-4-carboxylate
Brand: AABLOCKS
SKU: AA00C6Q0
Rating: 90 (10 reviews)

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contact us at [email protected] for pricing and availability information.

Technical Information
Properties
Literature
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Technical Information

Catalog Number:

AA00C6Q0

Chemical Name:

Ethyl 5-amino-2-phenyl-3-thioxo-2,3-dihydroisothiazole-4-carboxylate

CAS Number:

380442-79-5

Molecular Formula:

C12H12N2O2S2

Molecular Weight:

280.3659

MDL Number:

MFCD03476819

SMILES:

CCOC(=O)c1c(N)sn(c1=S)c1ccccc1

Properties

Computed Properties

Complexity:

390

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Rotatable Bond Count:

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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Tags:380442-79-5 Molecular Formula|380442-79-5 MDL|380442-79-5 SMILES|380442-79-5 Ethyl 5-amino-2-phenyl-3-thioxo-2,3-dihydroisothiazole-4-carboxylate

Catalog No.: AA00C6Q0

380442-79-5 | Ethyl 5-amino-2-phenyl-3-thioxo-2,3-dihydroisothiazole-4-carboxylate

This product is typically in stock,please click "Inquire" below or contact us at [email protected]for pricing and availability information.

Inquire

Technical Information

Catalog Number: AA00C6Q0

Chemical Name: Ethyl 5-amino-2-phenyl-3-thioxo-2,3-dihydroisothiazole-4-carboxylate

CAS Number: 380442-79-5

Molecular Formula: C12H12N2O2S2

Molecular Weight: 280.3659

MDL Number: MFCD03476819

SMILES: CCOC(=O)c1c(N)sn(c1=S)c1ccccc1

Properties

Complexity: 390

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 18

Hydrogen Bond Acceptor Count: 5

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 2.7

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

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