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69213-11-2 | 5H,6H,7H-cyclopenta[b]pyridine-7-carbothioamide
CAS No: 69213-11-2 Catalog No: AG01EISB MDL No:MFCD31617262
Product Description
Catalog Number:
AG01EISB
Chemical Name:
5H,6H,7H-cyclopenta[b]pyridine-7-carbothioamide
CAS Number:
69213-11-2
Molecular Formula:
C9H10N2S
Molecular Weight:
178.2541
MDL Number:
MFCD31617262
IUPAC Name:
6,7-dihydro-5H-cyclopenta[b]pyridine-7-carbothioamide
InChI:
InChI=1S/C9H10N2S/c10-9(12)7-4-3-6-2-1-5-11-8(6)7/h1-2,5,7H,3-4H2,(H2,10,12)
InChI Key:
BWWVDCYQJVWZIY-UHFFFAOYSA-N
SMILES:
NC(=S)C1CCc2c1nccc2
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.253g/mol
Monoisotopic Mass:
178.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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