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88046-09-7 | Propanenitrile, 3-[[[4-[(dimethylamino)methyl]-2-pyridinyl]methyl]thio]-
CAS No: 88046-09-7 Catalog No: AG004G3Q MDL No:
Product Description
Catalog Number:
AG004G3Q
Chemical Name:
Propanenitrile, 3-[[[4-[(dimethylamino)methyl]-2-pyridinyl]methyl]thio]-
CAS Number:
88046-09-7
Molecular Formula:
C12H17N3S
Molecular Weight:
235.3485
IUPAC Name:
3-[[4-[(dimethylamino)methyl]pyridin-2-yl]methylsulfanyl]propanenitrile
InChI:
InChI=1S/C12H17N3S/c1-15(2)9-11-4-6-14-12(8-11)10-16-7-3-5-13/h4,6,8H,3,7,9-10H2,1-2H3
InChI Key:
QMZMMADSYJIPDA-UHFFFAOYSA-N
SMILES:
N#CCCSCc1nccc(c1)CN(C)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.114g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.349g/mol
Monoisotopic Mass:
235.114g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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