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Home > Nitro Compounds > 76151-75-2
76151-75-2 | Benzothiazole, 2-[(2-ethylhexyl)thio]-6-nitro-
CAS No: 76151-75-2 Catalog No: AG0057NC MDL No:
Product Description
Catalog Number:
AG0057NC
Chemical Name:
Benzothiazole, 2-[(2-ethylhexyl)thio]-6-nitro-
CAS Number:
76151-75-2
Molecular Formula:
C15H20N2O2S2
Molecular Weight:
324.4615
IUPAC Name:
2-(2-ethylhexylsulfanyl)-6-nitro-1,3-benzothiazole
InChI:
InChI=1S/C15H20N2O2S2/c1-3-5-6-11(4-2)10-20-15-16-13-8-7-12(17(18)19)9-14(13)21-15/h7-9,11H,3-6,10H2,1-2H3
InChI Key:
GLSPICBHZNNFQL-UHFFFAOYSA-N
SMILES:
CCCCC(CSc1nc2c(s1)cc(cc2)[N+](=O)[O-])CC
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.097g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
324.457g/mol
Monoisotopic Mass:
324.097g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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