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6965-01-1 | 1,3-BIS(3-PYRIDYLMETHYL)-2-THIOUREA, 97
CAS No: 6965-01-1 Catalog No: AG00FL2R MDL No:MFCD00075309
Product Description
Catalog Number:
AG00FL2R
Chemical Name:
1,3-BIS(3-PYRIDYLMETHYL)-2-THIOUREA, 97
CAS Number:
6965-01-1
Molecular Formula:
C13H14N4S
Molecular Weight:
258.3421
MDL Number:
MFCD00075309
IUPAC Name:
1,3-bis(pyridin-3-ylmethyl)thiourea
InChI:
InChI=1S/C13H14N4S/c18-13(16-9-11-3-1-5-14-7-11)17-10-12-4-2-6-15-8-12/h1-8H,9-10H2,(H2,16,17,18)
InChI Key:
KWZKQWNJGMWSDK-UHFFFAOYSA-N
SMILES:
S=C(NCc1cccnc1)NCc1cccnc1
EC Number:
230-168-2
Properties
Complexity:
235
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:
4
Topological Polar Surface Area:
81.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| Poly[[μ(3)-N,N'-bis-(3-pyridylmeth-yl)-thio-urea-κN:N':S]iodidocopper(I)]. | Acta crystallographica. Section E, Structure reports online 20081101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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