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1428974-63-3 | (1,2,3,4-tetrahydroquinolin-6-ylsulfanyl)formonitrile
CAS No: 1428974-63-3 Catalog No: AG019P50 MDL No:MFCD28676835
Product Description
Catalog Number:
AG019P50
Chemical Name:
(1,2,3,4-tetrahydroquinolin-6-ylsulfanyl)formonitrile
CAS Number:
1428974-63-3
Molecular Formula:
C10H10N2S
Molecular Weight:
190.2648
MDL Number:
MFCD28676835
IUPAC Name:
1,2,3,4-tetrahydroquinolin-6-yl thiocyanate
InChI:
InChI=1S/C10H10N2S/c11-7-13-9-3-4-10-8(6-9)2-1-5-12-10/h3-4,6,12H,1-2,5H2
InChI Key:
WBNSNIRGCHXGBI-UHFFFAOYSA-N
SMILES:
N#CSc1ccc2c(c1)CCCN2
Properties
Complexity:
220
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.264g/mol
Monoisotopic Mass:
190.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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