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18879-80-6 | Thiourea, N-(4-iodophenyl)-
CAS No: 18879-80-6 Catalog No: AG002HBL MDL No:MFCD00041183
Product Description
Catalog Number:
AG002HBL
Chemical Name:
Thiourea, N-(4-iodophenyl)-
CAS Number:
18879-80-6
Molecular Formula:
C7H7IN2S
Molecular Weight:
278.1134
MDL Number:
MFCD00041183
IUPAC Name:
(4-iodophenyl)thiourea
InChI:
InChI=1S/C7H7IN2S/c8-5-1-3-6(4-2-5)10-7(9)11/h1-4H,(H3,9,10,11)
InChI Key:
USIFVFMNOLGPNL-UHFFFAOYSA-N
SMILES:
NC(=S)Nc1ccc(cc1)I
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.937g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.111g/mol
Monoisotopic Mass:
277.937g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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