Home Carboxys methyl (2S,4R)-4-(methylsulfanyl)pyrrolidine-2-carboxylate hydrochloride

methyl (2S,4R)-4-(methylsulfanyl)pyrrolidine-2-carboxylate hydrochloride

CAS No.:
83552-28-7
Catalog Number:
AG01EJ9P
Molecular Formula:
C7H14ClNO2S
Molecular Weight:
211.7096
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Product Description
Catalog Number:
AG01EJ9P
Chemical Name:
methyl (2S,4R)-4-(methylsulfanyl)pyrrolidine-2-carboxylate hydrochloride
CAS Number:
83552-28-7
Molecular Formula:
C7H14ClNO2S
Molecular Weight:
211.7096
MDL Number:
MFCD31668611
IUPAC Name:
methyl (2S,4R)-4-methylsulfanylpyrrolidine-2-carboxylate;hydrochloride
InChI:
InChI=1S/C7H13NO2S.ClH/c1-10-7(9)6-3-5(11-2)4-8-6;/h5-6,8H,3-4H2,1-2H3;1H/t5-,6+;/m1./s1
InChI Key:
VWAIFUOQWVBJJX-IBTYICNHSA-N
SMILES:
CS[C@H]1CN[C@@H](C1)C(=O)OC.Cl
Properties
Complexity:
151  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
211.043g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
211.704g/mol
Monoisotopic Mass:
211.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties