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16407-30-0 | Thiourea, N,N'-bis(5-methyl-2-pyridinyl)-
CAS No: 16407-30-0 Catalog No: AG001UMJ MDL No:
Product Description
Catalog Number:
AG001UMJ
Chemical Name:
Thiourea, N,N'-bis(5-methyl-2-pyridinyl)-
CAS Number:
16407-30-0
Molecular Formula:
C13H14N4S
Molecular Weight:
258.3421
IUPAC Name:
1,3-bis(5-methylpyridin-2-yl)thiourea
InChI:
InChI=1S/C13H14N4S/c1-9-3-5-11(14-7-9)16-13(18)17-12-6-4-10(2)8-15-12/h3-8H,1-2H3,(H2,14,15,16,17,18)
InChI Key:
HEPZHLVRUKGZOU-UHFFFAOYSA-N
SMILES:
S=C(Nc1ccc(cn1)C)Nc1ccc(cn1)C
UNII:
L180AD158V
NSC Number:
20616
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.094g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
258.343g/mol
Monoisotopic Mass:
258.094g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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