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10271-85-9,MFCD07369964
Catalog No.:AA000845
10271-85-9 | Isothiazole-5-carboxylic acid
Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
in stock  
$51.00   $36.00
- +
1g
97%
in stock  
$192.00   $135.00
- +
5g
97%
in stock  
$646.00   $452.00
- +
  • Technical Information
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA000845
Chemical Name:
Isothiazole-5-carboxylic acid
CAS Number:
10271-85-9
Molecular Formula:
C4H3NO2S
Molecular Weight:
129.1371
MDL Number:
MFCD07369964
IUPAC Name:
1,2-thiazole-5-carboxylic acid
InChI:
InChI=1S/C4H3NO2S/c6-4(7)3-1-2-5-8-3/h1-2H,(H,6,7)
InChI Key:
GGYXPOOZYZHPLB-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccns1
Properties
Computed Properties
 
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
128.988g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
129.133g/mol
Monoisotopic Mass:
128.988g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  

Synonyms
 
Isothiazole-5-carboxylic acid 
10271-85-9 
CTK0H4179 
KS-00000KYH 
DTXSID20409455 
GGYXPOOZYZHPLB-UHFFFAOYSA-N 
ACT02317 
ZINC4344245 
0659AA 
ANW-63054 
MFCD07369964 
SBB013118 
5-isothiazolecarboxylic acid 
STK661702 
AKOS005531072 
AB32452 
ACN-045290 
CS-W022767 
MCULE-2138423832 
AJ-50746 
AK-94814 
BC202175 
DS-18006 
1,2-thiazole-5-carboxylic acid 
isothiazole-5-carboxylic acid, AldrichCPR 
SC-25295 
ST091802 
SY029089 
DB-007593 
TC-151799 
C2384 
FT-0687239 
MFCD07369964 (95%) 
A-2434 
Isothiazole-5-carboxylicacid 
A800607 
W-200672 
I14-40290 
Z2106606171 
A4139/0176438 
C4H3NO2S 
4-[(2-hydroxyethyl)thio]benzoic acid 
CID5200404 
A13186 
ZERO/004967 
AC1NP9IZ 
5-Isothiazolecarboxylicacid 
5-isothiazole carboxylic acid 
SCHEMBL108914 
Literature
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