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Home > Pyridines > 866009-89-4
866009-89-4 | 3-tert-butyl-1-[(pyridin-4-yl)methyl]thiourea
CAS No: 866009-89-4 Catalog No: AG00IV48 MDL No:MFCD05670307
Product Description
Catalog Number:
AG00IV48
Chemical Name:
3-tert-butyl-1-[(pyridin-4-yl)methyl]thiourea
CAS Number:
866009-89-4
Molecular Formula:
C11H17N3S
Molecular Weight:
223.3378
MDL Number:
MFCD05670307
IUPAC Name:
1-tert-butyl-3-(pyridin-4-ylmethyl)thiourea
InChI:
InChI=1S/C11H17N3S/c1-11(2,3)14-10(15)13-8-9-4-6-12-7-5-9/h4-7H,8H2,1-3H3,(H2,13,14,15)
InChI Key:
BKTLPDABOIZVJT-UHFFFAOYSA-N
SMILES:
S=C(NC(C)(C)C)NCc1ccncc1
Properties
Complexity:
204
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.114g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
223.338g/mol
Monoisotopic Mass:
223.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| 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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