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141994-30-1 | 2,4(1H,3H)-Pyrimidinedithione, 6-(dibutylamino)-
CAS No: 141994-30-1 Catalog No: AG001HID MDL No:
Product Description
Catalog Number:
AG001HID
Chemical Name:
2,4(1H,3H)-Pyrimidinedithione, 6-(dibutylamino)-
CAS Number:
141994-30-1
Molecular Formula:
C12H21N3S2
Molecular Weight:
271.4452
IUPAC Name:
6-(dibutylamino)-1H-pyrimidine-2,4-dithione
InChI:
InChI=1S/C12H21N3S2/c1-3-5-7-15(8-6-4-2)10-9-11(16)14-12(17)13-10/h9H,3-8H2,1-2H3,(H2,13,14,16,17)
InChI Key:
GJYVBOXRSURTBY-UHFFFAOYSA-N
SMILES:
CCCCN(c1cc(=S)[nH]c(=S)[nH]1)CCCC
Properties
Complexity:
305
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
271.118g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
271.441g/mol
Monoisotopic Mass:
271.118g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
91.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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