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62827-27-4 | 1(4H)-Pyridinecarbothioamide, 4-ethynyl-3,5-diformyl-
CAS No: 62827-27-4 Catalog No: AG00EXW3 MDL No:
Product Description
Catalog Number:
AG00EXW3
Chemical Name:
1(4H)-Pyridinecarbothioamide, 4-ethynyl-3,5-diformyl-
CAS Number:
62827-27-4
IUPAC Name:
4-ethynyl-3,5-diformyl-4H-pyridine-1-carbothioamide
InChI:
InChI=1S/C10H8N2O2S/c1-2-9-7(5-13)3-12(10(11)15)4-8(9)6-14/h1,3-6,9H,(H2,11,15)
InChI Key:
XLPIQBUGZBGMFG-UHFFFAOYSA-N
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.031g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
220.246g/mol
Monoisotopic Mass:
220.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-1
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