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205764-69-8,MFCD11616765
Catalog No.:AA00BDBE

205764-69-8 | simazine mercapturate

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Purity
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100mg
2 weeks  
$1,568.00   $1,098.00
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Technical Information
Catalog Number:
AA00BDBE
Chemical Name:
simazine mercapturate
CAS Number:
205764-69-8
Molecular Formula:
C12H20N6O3S
Molecular Weight:
328.3906
MDL Number:
MFCD11616765
SMILES:
CCNC1=NC(=NC(=N1)SCC(C(=O)O)NC(=O)C)NCC
Properties
Computed Properties
 
Complexity:
359  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Rotatable Bond Count:
9  
XLogP3:
1.1  

Literature
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SDS
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Tags:205764-69-8 Molecular Formula|205764-69-8 MDL|205764-69-8 SMILES|205764-69-8 simazine mercapturate