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116547-81-0 | 3-Hexenenitrile, 3-[(2-aminoethyl)thio]-4-methyl-
CAS No: 116547-81-0 Catalog No: AG000CRN MDL No:
Product Description
Catalog Number:
AG000CRN
Chemical Name:
3-Hexenenitrile, 3-[(2-aminoethyl)thio]-4-methyl-
CAS Number:
116547-81-0
Molecular Formula:
C9H16N2S
Molecular Weight:
184.3017
IUPAC Name:
3-(2-aminoethylsulfanyl)-4-methylhex-3-enenitrile
InChI:
InChI=1S/C9H16N2S/c1-3-8(2)9(4-5-10)12-7-6-11/h3-4,6-7,11H2,1-2H3
InChI Key:
URJGFCJEALZCES-UHFFFAOYSA-N
SMILES:
NCCSC(=C(CC)C)CC#N
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
184.103g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
184.301g/mol
Monoisotopic Mass:
184.103g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
1.4
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