Home Nitriles 3-amino-4-(methylsulfanyl)benzonitrile

3-amino-4-(methylsulfanyl)benzonitrile

CAS No.:
1178148-01-0
Catalog Number:
AG01AAUP
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
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Product Description
Catalog Number:
AG01AAUP
Chemical Name:
3-amino-4-(methylsulfanyl)benzonitrile
CAS Number:
1178148-01-0
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
MDL Number:
MFCD12823601
IUPAC Name:
3-amino-4-methylsulfanylbenzonitrile
InChI:
InChI=1S/C8H8N2S/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4H,10H2,1H3
InChI Key:
MMMOLDWACARVRL-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)N)SC
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.041g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.226g/mol
Monoisotopic Mass:
164.041g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties