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1166-32-1 | Thiourea, N,N'-di-2-naphthalenyl-
CAS No: 1166-32-1 Catalog No: AG000CV7 MDL No:
Product Description
Catalog Number:
AG000CV7
Chemical Name:
Thiourea, N,N'-di-2-naphthalenyl-
CAS Number:
1166-32-1
Molecular Formula:
C21H16N2S
Molecular Weight:
328.4301
IUPAC Name:
1,3-dinaphthalen-2-ylthiourea
InChI:
InChI=1S/C21H16N2S/c24-21(22-19-11-9-15-5-1-3-7-17(15)13-19)23-20-12-10-16-6-2-4-8-18(16)14-20/h1-14H,(H2,22,23,24)
InChI Key:
YXGYUUQULAOVTE-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc2c(c1)cccc2)Nc1ccc2c(c1)cccc2
NSC Number:
74775
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.103g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
328.433g/mol
Monoisotopic Mass:
328.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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