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138467-88-6 | 3(2H)-Isothiazolethione, 2-ethyl-4-methyl-5-(5-pyrimidinyl)-
CAS No: 138467-88-6 Catalog No: AG001982 MDL No:
Product Description
Catalog Number:
AG001982
Chemical Name:
3(2H)-Isothiazolethione, 2-ethyl-4-methyl-5-(5-pyrimidinyl)-
CAS Number:
138467-88-6
Molecular Formula:
C10H11N3S2
Molecular Weight:
237.3444
IUPAC Name:
2-ethyl-4-methyl-5-pyrimidin-5-yl-1,2-thiazole-3-thione
InChI:
InChI=1S/C10H11N3S2/c1-3-13-10(14)7(2)9(15-13)8-4-11-6-12-5-8/h4-6H,3H2,1-2H3
InChI Key:
KGYOWXTXIVSTPK-UHFFFAOYSA-N
SMILES:
CCn1sc(c(c1=S)C)c1cncnc1
Properties
Complexity:
295
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.039g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
237.339g/mol
Monoisotopic Mass:
237.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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