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Home > Nitro Compounds > 75376-74-8
75376-74-8 | Benzothiazole, 2-[(1-methyl-1-nitroethyl)thio]-
CAS No: 75376-74-8 Catalog No: AG005M1V MDL No:
Product Description
Catalog Number:
AG005M1V
Chemical Name:
Benzothiazole, 2-[(1-methyl-1-nitroethyl)thio]-
CAS Number:
75376-74-8
Molecular Formula:
C10H10N2O2S2
Molecular Weight:
254.3286
IUPAC Name:
2-(2-nitropropan-2-ylsulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C10H10N2O2S2/c1-10(2,12(13)14)16-9-11-7-5-3-4-6-8(7)15-9/h3-6H,1-2H3
InChI Key:
KPGOYANQOHAKDI-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)C(Sc1nc2c(s1)cccc2)(C)C
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.018g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.322g/mol
Monoisotopic Mass:
254.018g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
112A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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