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Home > Nitro Compounds > 66777-85-3
66777-85-3 | Benzothiazole, 2-[(2-methylpropyl)thio]-6-nitro-
CAS No: 66777-85-3 Catalog No: AG00H6DP MDL No:
Product Description
Catalog Number:
AG00H6DP
Chemical Name:
Benzothiazole, 2-[(2-methylpropyl)thio]-6-nitro-
CAS Number:
66777-85-3
Molecular Formula:
C11H12N2O2S2
Molecular Weight:
268.3552
IUPAC Name:
2-(2-methylpropylsulfanyl)-6-nitro-1,3-benzothiazole
InChI:
InChI=1S/C11H12N2O2S2/c1-7(2)6-16-11-12-9-4-3-8(13(14)15)5-10(9)17-11/h3-5,7H,6H2,1-2H3
InChI Key:
GFRJOQXLNASTRR-UHFFFAOYSA-N
SMILES:
CC(CSc1nc2c(s1)cc(cc2)[N+](=O)[O-])C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.034g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
268.349g/mol
Monoisotopic Mass:
268.034g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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