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140411-23-0 | Thiourea, N-(1,1-dimethylethyl)-N'-[4-iodo-2,6-bis(1-methylethyl)phenyl]-
CAS No: 140411-23-0 Catalog No: AG001CEF MDL No:
Product Description
Catalog Number:
AG001CEF
Chemical Name:
Thiourea, N-(1,1-dimethylethyl)-N'-[4-iodo-2,6-bis(1-methylethyl)phenyl]-
CAS Number:
140411-23-0
Molecular Formula:
C17H27IN2S
Molecular Weight:
418.3791
IUPAC Name:
1-tert-butyl-3-[4-iodo-2,6-di(propan-2-yl)phenyl]thiourea
InChI:
InChI=1S/C17H27IN2S/c1-10(2)13-8-12(18)9-14(11(3)4)15(13)19-16(21)20-17(5,6)7/h8-11H,1-7H3,(H2,19,20,21)
InChI Key:
NQEIBTMMHHFHJU-UHFFFAOYSA-N
SMILES:
CC(c1cc(I)cc(c1NC(=S)NC(C)(C)C)C(C)C)C
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.094g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
418.381g/mol
Monoisotopic Mass:
418.094g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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