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78797-09-8 | 2-Pyridinecarbothioamide,6-[(hydroxyimino)methyl]-
CAS No: 78797-09-8 Catalog No: AG005DHI MDL No:
Product Description
Catalog Number:
AG005DHI
Chemical Name:
2-Pyridinecarbothioamide,6-[(hydroxyimino)methyl]-
CAS Number:
78797-09-8
Molecular Formula:
C7H7N3OS
Molecular Weight:
181.2150
IUPAC Name:
6-[(E)-hydroxyiminomethyl]pyridine-2-carbothioamide
InChI:
InChI=1S/C7H7N3OS/c8-7(12)6-3-1-2-5(10-6)4-9-11/h1-4,11H,(H2,8,12)/b9-4+
InChI Key:
NQVDFJYNILXRPE-RUDMXATFSA-N
SMILES:
O=NC=c1cccc([nH]1)C(=S)N
NSC Number:
315633
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
181.031g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
181.213g/mol
Monoisotopic Mass:
181.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
104A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
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