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88867-01-0 | 1H-Imidazole, 1-[[2-(2-cyanoethyl)cyclopentyl]thioxomethyl]-
CAS No: 88867-01-0 Catalog No: AG008ALB MDL No:
Product Description
Catalog Number:
AG008ALB
Chemical Name:
1H-Imidazole, 1-[[2-(2-cyanoethyl)cyclopentyl]thioxomethyl]-
CAS Number:
88867-01-0
Molecular Formula:
C12H15N3S
Molecular Weight:
233.3326
IUPAC Name:
3-[2-(imidazole-1-carbothioyl)cyclopentyl]propanenitrile
InChI:
InChI=1S/C12H15N3S/c13-6-2-4-10-3-1-5-11(10)12(16)15-8-7-14-9-15/h7-11H,1-5H2
InChI Key:
VMDAGNNCRMKRCG-UHFFFAOYSA-N
SMILES:
N#CCCC1CCCC1C(=S)n1ccnc1
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.099g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
233.333g/mol
Monoisotopic Mass:
233.099g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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