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1311254-50-8 | 4-Thiomorpholinecarboxylic acid, 2-cyano-, 1,1-dimethylethyl ester
CAS No: 1311254-50-8 Catalog No: AG000VKX MDL No:
Product Description
Catalog Number:
AG000VKX
Chemical Name:
4-Thiomorpholinecarboxylic acid, 2-cyano-, 1,1-dimethylethyl ester
CAS Number:
1311254-50-8
Molecular Formula:
C10H16N2O2S
Molecular Weight:
228.3112
IUPAC Name:
tert-butyl 2-cyanothiomorpholine-4-carboxylate
InChI:
InChI=1S/C10H16N2O2S/c1-10(2,3)14-9(13)12-4-5-15-8(6-11)7-12/h8H,4-5,7H2,1-3H3
InChI Key:
MTGBWJCVLSVUQM-UHFFFAOYSA-N
SMILES:
N#CC1SCCN(C1)C(=O)OC(C)(C)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.093g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
228.31g/mol
Monoisotopic Mass:
228.093g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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