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262438-34-6,MFCD08461791
Catalog No.:AA01EUKA

262438-34-6 | 1,4-Dimethyl (2S)-2-isothiocyanatobutanedioate

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Technical Information
Catalog Number:
AA01EUKA
Chemical Name:
1,4-Dimethyl (2S)-2-isothiocyanatobutanedioate
CAS Number:
262438-34-6
Molecular Formula:
C7H9NO4S
Molecular Weight:
203.2157
MDL Number:
MFCD08461791
SMILES:
S=C=N[C@H](C(=O)OC)CC(=O)OC
Properties
Computed Properties
 
Complexity:
247  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Rotatable Bond Count:
6  
XLogP3:
1.5  

Literature
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Additional Info:
SDS
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Tags:262438-34-6 Molecular Formula|262438-34-6 MDL|262438-34-6 SMILES|262438-34-6 1,4-Dimethyl (2S)-2-isothiocyanatobutanedioate