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Home > Nitro Compounds > 66778-16-3
66778-16-3 | 2-(cyclohexylthio)-6-nitro-1,3-benzothiazole
CAS No: 66778-16-3 Catalog No: AG00JH80 MDL No:MFCD13704105
Product Description
Catalog Number:
AG00JH80
Chemical Name:
2-(cyclohexylthio)-6-nitro-1,3-benzothiazole
CAS Number:
66778-16-3
Molecular Formula:
C13H14N2O2S2
Molecular Weight:
294.3925
MDL Number:
MFCD13704105
IUPAC Name:
2-cyclohexylsulfanyl-6-nitro-1,3-benzothiazole
InChI:
InChI=1S/C13H14N2O2S2/c16-15(17)9-6-7-11-12(8-9)19-13(14-11)18-10-4-2-1-3-5-10/h6-8,10H,1-5H2
InChI Key:
QJLZIEQKECXJDF-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)sc(n2)SC1CCCCC1
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.05g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.387g/mol
Monoisotopic Mass:
294.05g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.1
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