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74787-82-9 | Thiourea, N-(2-methyl-2-propenyl)-N'-(1-phenylpropyl)-
CAS No: 74787-82-9 Catalog No: AG005H9M MDL No:
Product Description
Catalog Number:
AG005H9M
Chemical Name:
Thiourea, N-(2-methyl-2-propenyl)-N'-(1-phenylpropyl)-
CAS Number:
74787-82-9
Molecular Formula:
C14H20N2S
Molecular Weight:
248.3870
IUPAC Name:
1-(2-methylprop-2-enyl)-3-(1-phenylpropyl)thiourea
InChI:
InChI=1S/C14H20N2S/c1-4-13(12-8-6-5-7-9-12)16-14(17)15-10-11(2)3/h5-9,13H,2,4,10H2,1,3H3,(H2,15,16,17)
InChI Key:
PASAJRVRIKPHLR-UHFFFAOYSA-N
SMILES:
CCC(c1ccccc1)NC(=S)NCC(=C)C
Properties
Complexity:
257
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.135g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
248.388g/mol
Monoisotopic Mass:
248.135g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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