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208458-48-4 | Benzothiazole, 5-isothiocyanato-4-methyl- (9CI)
CAS No: 208458-48-4 Catalog No: AG00BLK5 MDL No:
Product Description
Catalog Number:
AG00BLK5
Chemical Name:
Benzothiazole, 5-isothiocyanato-4-methyl- (9CI)
CAS Number:
208458-48-4
IUPAC Name:
5-isothiocyanato-4-methyl-1,3-benzothiazole
InChI:
InChI=1S/C9H6N2S2/c1-6-7(10-4-12)2-3-8-9(6)11-5-13-8/h2-3,5H,1H3
InChI Key:
QZURCUNUMBDCMO-UHFFFAOYSA-N
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.281g/mol
Monoisotopic Mass:
205.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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