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1019456-17-7,MFCD10686620
Catalog No.:AA0005Y5
1019456-17-7 | 2-Chloro-n-1,3,4-thiadiazol-2-ylpropanamide
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Technical Information
Catalog Number:
AA0005Y5
Chemical Name:
2-Chloro-n-1,3,4-thiadiazol-2-ylpropanamide
CAS Number:
1019456-17-7
Molecular Formula:
C5H6ClN3OS
Molecular Weight:
191.6386
MDL Number:
MFCD10686620
IUPAC Name:
2-chloro-N-(1,3,4-thiadiazol-2-yl)propanamide
InChI:
InChI=1S/C5H6ClN3OS/c1-3(6)4(10)8-5-9-7-2-11-5/h2-3H,1H3,(H,8,9,10)
InChI Key:
DABZOVVOBDHPTI-UHFFFAOYSA-N
SMILES:
CC(C(=O)Nc1nncs1)Cl
Properties
Computed Properties
 
Complexity:
157  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.992g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
191.633g/mol
Monoisotopic Mass:
190.992g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  

Synonyms
 
2-chloro-N-1,3,4-thiadiazol-2-ylpropanamide 
1019456-17-7 
STK502005 
AKOS000205876 
AKOS016345640 
MCULE-1143487256 
AB0155017 
FT-0679615 
Y-6392 
I14-28109 
C5H6ClN3OS 
2-chloro-N-(1,3,4-thiadiazol-2-yl)propanamide 
propanamide, 2-chloro-N-1,3,4-thiadiazol-2-yl- 
CTK4A0455 
DTXSID90649326 
ALBB-009556 
7504AC 
BBL003773 
MFCD10686620 
Literature
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