Home Other Building Blocks 2-(2-isothiocyanatoethyl)pyridine

2-(2-isothiocyanatoethyl)pyridine

CAS No.:
36810-91-0
Catalog Number:
AG01A9C5
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
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Product Description
Catalog Number:
AG01A9C5
Chemical Name:
2-(2-isothiocyanatoethyl)pyridine
CAS Number:
36810-91-0
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
MDL Number:
MFCD11131117
IUPAC Name:
2-(2-isothiocyanatoethyl)pyridine
InChI:
InChI=1S/C8H8N2S/c11-7-9-6-4-8-3-1-2-5-10-8/h1-3,5H,4,6H2
InChI Key:
IVLUFOQCPWIXMW-UHFFFAOYSA-N
SMILES:
S=C=NCCc1ccccn1
Properties
Complexity:
152  
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:
0
Isotope Atom Count:
0
Molecular Weight:
164.226g/mol
Monoisotopic Mass:
164.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties