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85748-56-7 | N-(1-pyrazin-2-ylethylideneamino)pyrrolidine-1-carbothioamide
CAS No: 85748-56-7 Catalog No: AG004YA5 MDL No:
Product Description
Catalog Number:
AG004YA5
Chemical Name:
N-(1-pyrazin-2-ylethylideneamino)pyrrolidine-1-carbothioamide
CAS Number:
85748-56-7
Molecular Formula:
C11H15N5S
Molecular Weight:
249.3353
IUPAC Name:
N-(1-pyrazin-2-ylethylideneamino)pyrrolidine-1-carbothioamide
InChI:
InChI=1S/C11H15N5S/c1-9(10-8-12-4-5-13-10)14-15-11(17)16-6-2-3-7-16/h4-5,8H,2-3,6-7H2,1H3,(H,15,17)
InChI Key:
VYYCUPFQSXZZSA-UHFFFAOYSA-N
SMILES:
CC(=NNC(=S)N1CCCC1)c1nccnc1
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.105g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.336g/mol
Monoisotopic Mass:
249.105g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
0.7
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