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16293-61-1 | Benzothiazole, 6-azido-2-methyl-
CAS No: 16293-61-1 Catalog No: AG001TK3 MDL No:MFCD01438312
Product Description
Catalog Number:
AG001TK3
Chemical Name:
Benzothiazole, 6-azido-2-methyl-
CAS Number:
16293-61-1
Molecular Formula:
C8H6N4S
Molecular Weight:
190.2250
MDL Number:
MFCD01438312
IUPAC Name:
6-azido-2-methyl-1,3-benzothiazole
InChI:
InChI=1S/C8H6N4S/c1-5-10-7-3-2-6(11-12-9)4-8(7)13-5/h2-4H,1H3
InChI Key:
PAHZNHLOQDEDKC-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccc2c(c1)sc(n2)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.031g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.224g/mol
Monoisotopic Mass:
190.031g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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