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1138-72-3 | Thiourea, N-(4-methoxyphenyl)-N'-2-propen-1-yl-
CAS No: 1138-72-3 Catalog No: AG0009QB MDL No:MFCD00244797
Product Description
Catalog Number:
AG0009QB
Chemical Name:
Thiourea, N-(4-methoxyphenyl)-N'-2-propen-1-yl-
CAS Number:
1138-72-3
Molecular Formula:
C11H14N2OS
Molecular Weight:
222.3067
MDL Number:
MFCD00244797
IUPAC Name:
1-(4-methoxyphenyl)-3-prop-2-enylthiourea
InChI:
InChI=1S/C11H14N2OS/c1-3-8-12-11(15)13-9-4-6-10(14-2)7-5-9/h3-7H,1,8H2,2H3,(H2,12,13,15)
InChI Key:
REZDXTXPJKIOKH-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)NC(=S)NCC=C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
222.306g/mol
Monoisotopic Mass:
222.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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