Carbamicacid, [1-(hydroxymethyl)-2-[[(4-methylphenyl)methyl]thio]ethyl]-,1,1-dimethylethyl ester, (S)- (9CI)


Chemical Name: Carbamicacid, [1-(hydroxymethyl)-2-[[(4-methylphenyl)methyl]thio]ethyl]-,1,1-dimethylethyl ester, (S)- (9CI)
CAS Number: 129397-85-9
Product Number: AG000Z4I(AGN-PC-0PIZDX)
Synonyms:
MDL No:
Molecular Formula: C16H25NO3S
Molecular Weight: 311.4396

Identification/Properties


Properties
BP:
457.002°C at 760 mmHg
Storage:
Keep in dry area;2-8℃;
Computed Properties
Molecular Weight:
311.44g/mol
XLogP3:
2.8
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
8
Exact Mass:
311.156g/mol
Monoisotopic Mass:
311.156g/mol
Topological Polar Surface Area:
83.9A^2
Heavy Atom Count:
21
Formal Charge:
0
Complexity:
309
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
1
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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