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13287-68-8 | Pyridine-2-carbothioic acid dimethylamide
CAS No: 13287-68-8 Catalog No: AG01FBK1 MDL No:MFCD06637681
Product Description
Catalog Number:
AG01FBK1
Chemical Name:
Pyridine-2-carbothioic acid dimethylamide
CAS Number:
13287-68-8
Molecular Formula:
C8H10N2S
Molecular Weight:
166.2434
MDL Number:
MFCD06637681
IUPAC Name:
N,N-dimethylpyridine-2-carbothioamide
InChI:
InChI=1S/C8H10N2S/c1-10(2)8(11)7-5-3-4-6-9-7/h3-6H,1-2H3
InChI Key:
HFRPORBJWJMRIG-UHFFFAOYSA-N
SMILES:
CN(C(=S)c1ccccn1)C
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
166.056g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.242g/mol
Monoisotopic Mass:
166.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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