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Home > Pyridines > 1256809-08-1
1256809-08-1 | 6-(propan-2-yl)pyridine-2-carbothioamide
CAS No: 1256809-08-1 Catalog No: AG01CADJ MDL No:MFCD18259395
Product Description
Catalog Number:
AG01CADJ
Chemical Name:
6-(propan-2-yl)pyridine-2-carbothioamide
CAS Number:
1256809-08-1
Molecular Formula:
C9H12N2S
Molecular Weight:
180.2700
MDL Number:
MFCD18259395
IUPAC Name:
6-propan-2-ylpyridine-2-carbothioamide
InChI:
InChI=1S/C9H12N2S/c1-6(2)7-4-3-5-8(11-7)9(10)12/h3-6H,1-2H3,(H2,10,12)
InChI Key:
SJNLPLYSKCEGJM-UHFFFAOYSA-N
SMILES:
CC(c1cccc(n1)C(=S)N)C
Properties
Complexity:
168
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.072g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.269g/mol
Monoisotopic Mass:
180.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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