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67160-80-9 | Thiourea, N-(4-iodo-2-methylphenyl)-N'-octyl-
CAS No: 67160-80-9 Catalog No: AG006KM1 MDL No:
Product Description
Catalog Number:
AG006KM1
Chemical Name:
Thiourea, N-(4-iodo-2-methylphenyl)-N'-octyl-
CAS Number:
67160-80-9
Molecular Formula:
C16H25IN2S
Molecular Weight:
404.3526
IUPAC Name:
1-(4-iodo-2-methylphenyl)-3-octylthiourea
InChI:
InChI=1S/C16H25IN2S/c1-3-4-5-6-7-8-11-18-16(20)19-15-10-9-14(17)12-13(15)2/h9-10,12H,3-8,11H2,1-2H3,(H2,18,19,20)
InChI Key:
SYXNLXRMYBEAOA-UHFFFAOYSA-N
SMILES:
CCCCCCCCNC(=S)Nc1ccc(cc1C)I
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.078g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
404.354g/mol
Monoisotopic Mass:
404.078g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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