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39122-38-8 | N-(pyridin-2-yl)pyridine-2-carbothioamide
CAS No: 39122-38-8 Catalog No: AG01BBLD MDL No:MFCD00448857
Product Description
Catalog Number:
AG01BBLD
Chemical Name:
N-(pyridin-2-yl)pyridine-2-carbothioamide
CAS Number:
39122-38-8
Molecular Formula:
C11H9N3S
Molecular Weight:
215.2743
MDL Number:
MFCD00448857
IUPAC Name:
N-pyridin-2-ylpyridine-2-carbothioamide
InChI:
InChI=1S/C11H9N3S/c15-11(9-5-1-3-7-12-9)14-10-6-2-4-8-13-10/h1-8H,(H,13,14,15)
InChI Key:
UGWOJXZJIZUKDP-UHFFFAOYSA-N
SMILES:
S=C(c1ccccn1)Nc1ccccn1
NSC Number:
185058
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.052g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.274g/mol
Monoisotopic Mass:
215.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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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