Home Other Building Blocks 6-(pyrrolidin-1-yl)pyridine-3-carbothioamide

6-(pyrrolidin-1-yl)pyridine-3-carbothioamide

CAS No.:
1016519-59-7
Catalog Number:
AG01ACAB
Molecular Formula:
C10H13N3S
Molecular Weight:
207.2953
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Product Description
Catalog Number:
AG01ACAB
Chemical Name:
6-(pyrrolidin-1-yl)pyridine-3-carbothioamide
CAS Number:
1016519-59-7
Molecular Formula:
C10H13N3S
Molecular Weight:
207.2953
IUPAC Name:
6-pyrrolidin-1-ylpyridine-3-carbothioamide
InChI:
InChI=1S/C10H13N3S/c11-10(14)8-3-4-9(12-7-8)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H2,11,14)
InChI Key:
YXWCEKIIMQJCMD-UHFFFAOYSA-N
SMILES:
NC(=S)c1ccc(nc1)N1CCCC1
Properties
Complexity:
213  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.083g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
207.295g/mol
Monoisotopic Mass:
207.083g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties