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Home Other Building Blocks 2-phenyl-2-(thiomorpholin-4-yl)acetic acid hydrochloride

2-phenyl-2-(thiomorpholin-4-yl)acetic acid hydrochloride

CAS No.:
1214028-77-9
Catalog Number:
AG019X8K
Molecular Formula:
C12H16ClNO2S
Molecular Weight:
273.7789
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Product Description
Catalog Number:
AG019X8K
Chemical Name:
2-phenyl-2-(thiomorpholin-4-yl)acetic acid hydrochloride
CAS Number:
1214028-77-9
Molecular Formula:
C12H16ClNO2S
Molecular Weight:
273.7789
MDL Number:
MFCD13196041
IUPAC Name:
2-phenyl-2-thiomorpholin-4-ylacetic acid;hydrochloride
InChI:
InChI=1S/C12H15NO2S.ClH/c14-12(15)11(10-4-2-1-3-5-10)13-6-8-16-9-7-13;/h1-5,11H,6-9H2,(H,14,15);1H
InChI Key:
HLDDVLDWCSUVCV-UHFFFAOYSA-N
SMILES:
OC(=O)C(c1ccccc1)N1CCSCC1.Cl
Properties
Complexity:
235  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.059g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
273.775g/mol
Monoisotopic Mass:
273.059g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
65.8A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties