Home Other Building Blocks Pyridine,3-(isothiocyanatomethyl)-

Pyridine,3-(isothiocyanatomethyl)-

CAS No.:
36810-90-9
Catalog Number:
AG0077X7
Molecular Formula:
C7H6N2S
Molecular Weight:
150.2009
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Product Description
Catalog Number:
AG0077X7
Chemical Name:
Pyridine,3-(isothiocyanatomethyl)-
CAS Number:
36810-90-9
Molecular Formula:
C7H6N2S
Molecular Weight:
150.2009
MDL Number:
MFCD00175166
IUPAC Name:
3-(isothiocyanatomethyl)pyridine
InChI:
InChI=1S/C7H6N2S/c10-6-9-5-7-2-1-3-8-4-7/h1-4H,5H2
InChI Key:
BDSYDRBQHFQOQG-UHFFFAOYSA-N
SMILES:
S=C=NCc1cccnc1
EC Number:
253-225-3
Properties
Complexity:
141  
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:
0
Isotope Atom Count:
0
Molecular Weight:
150.199g/mol
Monoisotopic Mass:
150.025g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Literature
Title Journal
Growth-inhibitory activity of natural and synthetic isothiocyanates against representative human microbial pathogens. Journal of applied microbiology 20131001
Properties