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139428-96-9 | Carbamic acid, N-[(1R)-1-(hydroxymethyl)-2-[(phenylmethyl)thio]ethyl]-, 1,1-dimethylethyl ester
CAS No: 139428-96-9 Catalog No: AG001B0K MDL No:MFCD00235923
Product Description
Catalog Number:
AG001B0K
Chemical Name:
Carbamic acid, N-[(1R)-1-(hydroxymethyl)-2-[(phenylmethyl)thio]ethyl]-, 1,1-dimethylethyl ester
CAS Number:
139428-96-9
Molecular Formula:
C15H23NO3S
Molecular Weight:
297.4130
MDL Number:
MFCD00235923
IUPAC Name:
tert-butyl N-[(2R)-1-benzylsulfanyl-3-hydroxypropan-2-yl]carbamate
InChI:
InChI=1S/C15H23NO3S/c1-15(2,3)19-14(18)16-13(9-17)11-20-10-12-7-5-4-6-8-12/h4-8,13,17H,9-11H2,1-3H3,(H,16,18)/t13-/m1/s1
InChI Key:
MEZQRZMTIJTPIY-CYBMUJFWSA-N
SMILES:
OC[C@@H](NC(=O)OC(C)(C)C)CSCc1ccccc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
297.14g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
297.413g/mol
Monoisotopic Mass:
297.14g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
83.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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