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116990-43-3 | Carbamodithioic acid, N,N-bis(1-methylethyl)-, 4-amino-3-pyridinyl ester
CAS No: 116990-43-3 Catalog No: AG000DH4 MDL No:
Product Description
Catalog Number:
AG000DH4
Chemical Name:
Carbamodithioic acid, N,N-bis(1-methylethyl)-, 4-amino-3-pyridinyl ester
CAS Number:
116990-43-3
Molecular Formula:
C12H19N3S2
Molecular Weight:
269.4294
IUPAC Name:
(4-aminopyridin-3-yl) N,N-di(propan-2-yl)carbamodithioate
InChI:
InChI=1S/C12H19N3S2/c1-8(2)15(9(3)4)12(16)17-11-7-14-6-5-10(11)13/h5-9H,1-4H3,(H2,13,14)
InChI Key:
RGPKPLDQCGFYCP-UHFFFAOYSA-N
SMILES:
CC(N(C(=S)Sc1cnccc1N)C(C)C)C
Properties
Complexity:
248
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.102g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.425g/mol
Monoisotopic Mass:
269.102g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
99.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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