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Home Nitriles [(4-amino-3-ethyl-5-methylphenyl)sulfanyl]formonitrile

[(4-amino-3-ethyl-5-methylphenyl)sulfanyl]formonitrile

CAS No.:
730950-96-6
Catalog Number:
AG019J5L
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
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Product Description
Catalog Number:
AG019J5L
Chemical Name:
[(4-amino-3-ethyl-5-methylphenyl)sulfanyl]formonitrile
CAS Number:
730950-96-6
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
MDL Number:
MFCD00613378
IUPAC Name:
(4-amino-3-ethyl-5-methylphenyl) thiocyanate
InChI:
InChI=1S/C10H12N2S/c1-3-8-5-9(13-6-11)4-7(2)10(8)12/h4-5H,3,12H2,1-2H3
InChI Key:
ARNYTCIHTIYQHE-UHFFFAOYSA-N
SMILES:
N#CSc1cc(CC)c(c(c1)C)N
Properties
Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.072g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.28g/mol
Monoisotopic Mass:
192.072g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  
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
Properties