Home Amines 1024054-68-9
1024054-68-9,MFCD04971761
Catalog No.:AA0007AR
1024054-68-9 | Methyl 2-amino-1,3-benzothiazole-4-carboxylate
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250mg
≥ 98% (HPLC)
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$176.00   $123.00
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Technical Information
Catalog Number:
AA0007AR
Chemical Name:
Methyl 2-amino-1,3-benzothiazole-4-carboxylate
CAS Number:
1024054-68-9
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
MDL Number:
MFCD04971761
IUPAC Name:
methyl 2-amino-1,3-benzothiazole-4-carboxylate
InChI:
InChI=1S/C9H8N2O2S/c1-13-8(12)5-3-2-4-6-7(5)11-9(10)14-6/h2-4H,1H3,(H2,10,11)
InChI Key:
JWSQSUAAMGQUJI-UHFFFAOYSA-N
SMILES:
COC(=O)c1cccc2c1nc(s2)N
Properties
Computed Properties
 
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  

Synonyms
 
1024054-68-9 
methyl 2-aminobenzo[d]thiazole-4-carboxylate 
MFCD04971761 
AKOS000111772 
AB20894 
FCH1370569 
AJ-56201 
AM807436 
AS-47830 
AB0050638 
AX8255821 
BB 0246350 
methyl 2-amino-1,3-benzothiazole-4-carboxylate 
K-0303 
Z-8741 
2-Amino-benzothiazole-4-carboxylic acid methyl ester 
4-Benzothiazolecarboxylic acid, 2-amino-, methyl ester 
METHYL 2-IMINO-2,3-DIHYDROBENZO[D]THIAZOLE-4-CARBOXYLATE 
C9H8N2O2S 
CID4445158 
Methyl 2-aminobenzothiazole-4-carboxylate 
2-Amino-benzothiazole-4-carboxylic acid methyl ester 
AC1NBLJ9 
SCHEMBL9722753 
CTK4A1005 
DTXSID20403377 
ZINC6453221 
7378AH 
Literature
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