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88482-22-8 | 4-Pyridinecarbothioamide, 5-iodo-2-methyl-
CAS No: 88482-22-8 Catalog No: AG008AH6 MDL No:
Product Description
Catalog Number:
AG008AH6
Chemical Name:
4-Pyridinecarbothioamide, 5-iodo-2-methyl-
CAS Number:
88482-22-8
Molecular Formula:
C7H7IN2S
Molecular Weight:
278.1134
IUPAC Name:
5-iodo-2-methylpyridine-4-carbothioamide
InChI:
InChI=1S/C7H7IN2S/c1-4-2-5(7(9)11)6(8)3-10-4/h2-3H,1H3,(H2,9,11)
InChI Key:
IRBCRSODXQCWNQ-UHFFFAOYSA-N
SMILES:
Cc1ncc(c(c1)C(=S)N)I
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
277.937g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.111g/mol
Monoisotopic Mass:
277.937g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
71A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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