200,000+ products from a single source!
sales@angenechem.com
114525-81-4 | 3,4-Thiomorpholinedicarboxylic acid, 4-(1,1-dimethylethyl) ester, (3R)-
CAS No: 114525-81-4 Catalog No: AG000EMX MDL No:MFCD04114906
Product Description
Catalog Number:
AG000EMX
Chemical Name:
3,4-Thiomorpholinedicarboxylic acid, 4-(1,1-dimethylethyl) ester, (3R)-
CAS Number:
114525-81-4
Molecular Formula:
C10H16NO4S-
Molecular Weight:
246.3033
MDL Number:
MFCD04114906
IUPAC Name:
(3R)-4-[(2-methylpropan-2-yl)oxycarbonyl]thiomorpholine-3-carboxylic acid
InChI:
InChI=1S/C10H17NO4S/c1-10(2,3)15-9(14)11-4-5-16-6-7(11)8(12)13/h7H,4-6H2,1-3H3,(H,12,13)/t7-/m0/s1
InChI Key:
CTDIKDIZNAGMFK-ZETCQYMHSA-N
SMILES:
[O-]C(=O)[C@@H]1CSCCN1C(=O)OC(C)(C)C
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
247.088g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.309g/mol
Monoisotopic Mass:
247.088g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
92.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.