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1001183-84-1 | 5-isothiocyanatoquinoline
CAS No: 1001183-84-1 Catalog No: AG01A9OO MDL No:MFCD11131112
Product Description
Catalog Number:
AG01A9OO
Chemical Name:
5-isothiocyanatoquinoline
CAS Number:
1001183-84-1
Molecular Formula:
C10H6N2S
Molecular Weight:
186.2330
MDL Number:
MFCD11131112
IUPAC Name:
5-isothiocyanatoquinoline
InChI:
InChI=1S/C10H6N2S/c13-7-12-10-5-1-4-9-8(10)3-2-6-11-9/h1-6H
InChI Key:
PHYKIILAWGSZIA-UHFFFAOYSA-N
SMILES:
S=C=Nc1cccc2c1cccn2
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.025g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.232g/mol
Monoisotopic Mass:
186.025g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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