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204649-32-1 | Ethanethioic acid, S-[2-(2-benzoxazolyl)-1,1,2-trimethylpropyl] ester
CAS No: 204649-32-1 Catalog No: AG0029MK MDL No:
Product Description
Catalog Number:
AG0029MK
Chemical Name:
Ethanethioic acid, S-[2-(2-benzoxazolyl)-1,1,2-trimethylpropyl] ester
CAS Number:
204649-32-1
Molecular Formula:
C15H19NO2S
Molecular Weight:
277.3819
IUPAC Name:
S-[3-(1,3-benzoxazol-2-yl)-2,3-dimethylbutan-2-yl] ethanethioate
InChI:
InChI=1S/C15H19NO2S/c1-10(17)19-15(4,5)14(2,3)13-16-11-8-6-7-9-12(11)18-13/h6-9H,1-5H3
InChI Key:
VVOINMIABAQTAC-UHFFFAOYSA-N
SMILES:
CC(=O)SC(C(c1nc2c(o1)cccc2)(C)C)(C)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.114g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
277.382g/mol
Monoisotopic Mass:
277.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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