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51451-44-6 | 3-Pyridylthioacetamide
CAS No: 51451-44-6 Catalog No: AG00DISJ MDL No:MFCD01691795
Product Description
Catalog Number:
AG00DISJ
Chemical Name:
3-Pyridylthioacetamide
CAS Number:
51451-44-6
Molecular Formula:
C7H8N2S
Molecular Weight:
152.2168
MDL Number:
MFCD01691795
IUPAC Name:
2-pyridin-3-ylethanethioamide
InChI:
InChI=1S/C7H8N2S/c8-7(10)4-6-2-1-3-9-5-6/h1-3,5H,4H2,(H2,8,10)
InChI Key:
VSBVYPLNYOJQEV-UHFFFAOYSA-N
SMILES:
NC(=S)Cc1cccnc1
Properties
Complexity:
125
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.041g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
152.215g/mol
Monoisotopic Mass:
152.041g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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