Home Carboxys 3-Thiomorpholinecarboxylic acid, 2,2-dimethyl-, (3R)-

3-Thiomorpholinecarboxylic acid, 2,2-dimethyl-, (3R)-

CAS No.:
774243-35-5
Catalog Number:
AG00ICUW
Molecular Formula:
C7H13NO2S
Molecular Weight:
175.2486
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Product Description
Catalog Number:
AG00ICUW
Chemical Name:
3-Thiomorpholinecarboxylic acid, 2,2-dimethyl-, (3R)-
CAS Number:
774243-35-5
Molecular Formula:
C7H13NO2S
Molecular Weight:
175.2486
MDL Number:
MFCD08063022
IUPAC Name:
(3R)-2,2-dimethylthiomorpholine-3-carboxylic acid
InChI:
InChI=1S/C7H13NO2S/c1-7(2)5(6(9)10)8-3-4-11-7/h5,8H,3-4H2,1-2H3,(H,9,10)/t5-/m1/s1
InChI Key:
PPNGSCRYZMXTEK-RXMQYKEDSA-N
SMILES:
OC(=O)[C@H]1NCCSC1(C)C
Properties
Complexity:
170  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
175.067g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
175.246g/mol
Monoisotopic Mass:
175.067g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1.8  
Properties