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174658-22-1 | Benzonitrile, 4-amino-3-mercapto-
CAS No: 174658-22-1 Catalog No: AG001ZUR MDL No:MFCD18826343
Product Description
Catalog Number:
AG001ZUR
Chemical Name:
Benzonitrile, 4-amino-3-mercapto-
CAS Number:
174658-22-1
Molecular Formula:
C7H6N2S
Molecular Weight:
150.2009
MDL Number:
MFCD18826343
IUPAC Name:
4-amino-3-sulfanylbenzonitrile
InChI:
InChI=1S/C7H6N2S/c8-4-5-1-2-6(9)7(10)3-5/h1-3,10H,9H2
InChI Key:
MXDAYVCCPKGPOE-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)S)N
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.025g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
150.199g/mol
Monoisotopic Mass:
150.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
50.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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