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88046-06-4 | Butanenitrile, 4-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]-
CAS No: 88046-06-4 Catalog No: AG004IXO MDL No:
Product Description
Catalog Number:
AG004IXO
Chemical Name:
Butanenitrile, 4-[[[5-[(dimethylamino)methyl]-2-furanyl]methyl]thio]-
CAS Number:
88046-06-4
Molecular Formula:
C12H18N2OS
Molecular Weight:
238.3491
IUPAC Name:
4-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]butanenitrile
InChI:
InChI=1S/C12H18N2OS/c1-14(2)9-11-5-6-12(15-11)10-16-8-4-3-7-13/h5-6H,3-4,8-10H2,1-2H3
InChI Key:
YSEONTIMBUILCX-UHFFFAOYSA-N
SMILES:
N#CCCCSCc1ccc(o1)CN(C)C
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.114g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
238.349g/mol
Monoisotopic Mass:
238.114g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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