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203794-02-9 | Thiourea, N-methyl-N'-1-pyrenyl-
CAS No: 203794-02-9 Catalog No: AG002946 MDL No:
Product Description
Catalog Number:
AG002946
Chemical Name:
Thiourea, N-methyl-N'-1-pyrenyl-
CAS Number:
203794-02-9
Molecular Formula:
C18H14N2S
Molecular Weight:
290.3822
IUPAC Name:
1-methyl-3-pyren-1-ylthiourea
InChI:
InChI=1S/C18H14N2S/c1-19-18(21)20-15-10-8-13-6-5-11-3-2-4-12-7-9-14(15)17(13)16(11)12/h2-10H,1H3,(H2,19,20,21)
InChI Key:
DKAJOIDOAOGSIR-UHFFFAOYSA-N
SMILES:
CNC(=S)Nc1ccc2c3c1ccc1c3c(cc2)ccc1
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.088g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
290.384g/mol
Monoisotopic Mass:
290.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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