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24793-00-8 | 2-(1,3-benzoxazol-2-ylsulfanyl)acetonitrile
CAS No: 24793-00-8 Catalog No: AG01CAT7 MDL No:MFCD01439194
Product Description
Catalog Number:
AG01CAT7
Chemical Name:
2-(1,3-benzoxazol-2-ylsulfanyl)acetonitrile
CAS Number:
24793-00-8
Molecular Formula:
C9H6N2OS
Molecular Weight:
190.2217
MDL Number:
MFCD01439194
IUPAC Name:
2-(1,3-benzoxazol-2-ylsulfanyl)acetonitrile
InChI:
InChI=1S/C9H6N2OS/c10-5-6-13-9-11-7-3-1-2-4-8(7)12-9/h1-4H,6H2
InChI Key:
VWAKZRVRLFIMDU-UHFFFAOYSA-N
SMILES:
N#CCSc1nc2c(o1)cccc2
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.02g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.22g/mol
Monoisotopic Mass:
190.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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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