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84915-43-5 | (3S)-2,2-DIMETHYL-1,4-THIAZINANE-3-CARBOXYLIC ACID
CAS No: 84915-43-5 Catalog No: AG004UYF MDL No:
Product Description
Catalog Number:
AG004UYF
Chemical Name:
(3S)-2,2-DIMETHYL-1,4-THIAZINANE-3-CARBOXYLIC ACID
CAS Number:
84915-43-5
Molecular Formula:
C7H13NO2S
Molecular Weight:
175.2486
IUPAC Name:
(3S)-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-/m0/s1
InChI Key:
PPNGSCRYZMXTEK-YFKPBYRVSA-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
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