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89221-71-6 | Carbamic acid, [4-(3-methyl-2-thiazolidinyl)phenyl]-, 1-methylethyl ester
CAS No: 89221-71-6 Catalog No: AG0043LX MDL No:
Product Description
Catalog Number:
AG0043LX
Chemical Name:
Carbamic acid, [4-(3-methyl-2-thiazolidinyl)phenyl]-, 1-methylethyl ester
CAS Number:
89221-71-6
Molecular Formula:
C14H20N2O2S
Molecular Weight:
280.3858
IUPAC Name:
propan-2-yl N-[4-(3-methyl-1,3-thiazolidin-2-yl)phenyl]carbamate
InChI:
InChI=1S/C14H20N2O2S/c1-10(2)18-14(17)15-12-6-4-11(5-7-12)13-16(3)8-9-19-13/h4-7,10,13H,8-9H2,1-3H3,(H,15,17)
InChI Key:
LKEGFJTUMGHXIQ-UHFFFAOYSA-N
SMILES:
CC(OC(=O)Nc1ccc(cc1)C1SCCN1C)C
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.125g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
280.386g/mol
Monoisotopic Mass:
280.125g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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