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36810-91-0 | 2-(2-isothiocyanatoethyl)pyridine
CAS No: 36810-91-0 Catalog No: AG01A9C5 MDL No:MFCD11131117
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
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