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5005-04-9 | 3-[3-(2-cyanoethyl)-2-sulfanylidene-imidazolidin-1-yl]propanenitrile
CAS No: 5005-04-9 Catalog No: AG00DRF0 MDL No:
Product Description
Catalog Number:
AG00DRF0
Chemical Name:
3-[3-(2-cyanoethyl)-2-sulfanylidene-imidazolidin-1-yl]propanenitrile
CAS Number:
5005-04-9
IUPAC Name:
3-[3-(2-cyanoethyl)-2-sulfanylideneimidazolidin-1-yl]propanenitrile
InChI:
InChI=1S/C9H12N4S/c10-3-1-5-12-7-8-13(9(12)14)6-2-4-11/h1-2,5-8H2
InChI Key:
RTNDDQZPJQUHCE-UHFFFAOYSA-N
NSC Number:
24909
Properties
Complexity:
277
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.078g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.283g/mol
Monoisotopic Mass:
208.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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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