Home Carboxys 3-Thiomorpholinecarboxylic acid, ethyl ester, hydrochloride (1:1)

3-Thiomorpholinecarboxylic acid, ethyl ester, hydrochloride (1:1)

CAS No.:
159381-07-4
Catalog Number:
AG001QNG
Molecular Formula:
C7H14ClNO2S
Molecular Weight:
211.7096
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Product Description
Catalog Number:
AG001QNG
Chemical Name:
3-Thiomorpholinecarboxylic acid, ethyl ester, hydrochloride (1:1)
CAS Number:
159381-07-4
Molecular Formula:
C7H14ClNO2S
Molecular Weight:
211.7096
MDL Number:
MFCD00107968
IUPAC Name:
ethyl thiomorpholine-3-carboxylate;hydrochloride
InChI:
InChI=1S/C7H13NO2S.ClH/c1-2-10-7(9)6-5-11-4-3-8-6;/h6,8H,2-5H2,1H3;1H
InChI Key:
QQRCEZBURAQLBQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)C1CSCCN1.Cl
Properties
Complexity:
140  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
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:
1  
Undefined Bond Stereocenter Count:
0
Properties