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84217-67-4 | Phenol, 2,6-bis(1,1-dimethylethyl)-4-[2-(ethylthio)-4-thiazolyl]-
CAS No: 84217-67-4 Catalog No: AG004OPD MDL No:
Product Description
Catalog Number:
AG004OPD
Chemical Name:
Phenol, 2,6-bis(1,1-dimethylethyl)-4-[2-(ethylthio)-4-thiazolyl]-
CAS Number:
84217-67-4
Molecular Formula:
C19H27NOS2
Molecular Weight:
349.5538
IUPAC Name:
2,6-ditert-butyl-4-(2-ethylsulfanyl-1,3-thiazol-4-yl)phenol
InChI:
InChI=1S/C19H27NOS2/c1-8-22-17-20-15(11-23-17)12-9-13(18(2,3)4)16(21)14(10-12)19(5,6)7/h9-11,21H,8H2,1-7H3
InChI Key:
MFLATGCUDIMYSO-UHFFFAOYSA-N
SMILES:
CCSc1scc(n1)c1cc(c(c(c1)C(C)(C)C)O)C(C)(C)C
Properties
Complexity:
364
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.153g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
349.551g/mol
Monoisotopic Mass:
349.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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