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116422-25-4 | 2,4(1H,3H)-Pyrimidinedithione, 3-butyl-
CAS No: 116422-25-4 Catalog No: AG000CGK MDL No:
Product Description
Catalog Number:
AG000CGK
Chemical Name:
2,4(1H,3H)-Pyrimidinedithione, 3-butyl-
CAS Number:
116422-25-4
Molecular Formula:
C8H12N2S2
Molecular Weight:
200.3243
IUPAC Name:
3-butyl-1H-pyrimidine-2,4-dithione
InChI:
InChI=1S/C8H12N2S2/c1-2-3-6-10-7(11)4-5-9-8(10)12/h4-5H,2-3,6H2,1H3,(H,9,12)
InChI Key:
HQYNBERMSSWQTG-UHFFFAOYSA-N
SMILES:
CCCCn1c(=S)cc[nH]c1=S
Properties
Complexity:
223
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.044g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
200.318g/mol
Monoisotopic Mass:
200.044g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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