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88630-46-0 | Acetonitrile, (imidazo[1,5-a]pyridin-3-ylthio)-
CAS No: 88630-46-0 Catalog No: AG004BQ7 MDL No:
Product Description
Catalog Number:
AG004BQ7
Chemical Name:
Acetonitrile, (imidazo[1,5-a]pyridin-3-ylthio)-
CAS Number:
88630-46-0
Molecular Formula:
C9H7N3S
Molecular Weight:
189.2370
IUPAC Name:
2-imidazo[1,5-a]pyridin-3-ylsulfanylacetonitrile
InChI:
InChI=1S/C9H7N3S/c10-4-6-13-9-11-7-8-3-1-2-5-12(8)9/h1-3,5,7H,6H2
InChI Key:
XTCLGGWLIJLINC-UHFFFAOYSA-N
SMILES:
N#CCSc1ncc2n1cccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.036g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.236g/mol
Monoisotopic Mass:
189.036g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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