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208458-52-0 | Benzothiazole, 4-ethyl-5-isothiocyanato- (9CI)
CAS No: 208458-52-0 Catalog No: AG00BLKS MDL No:
Product Description
Catalog Number:
AG00BLKS
Chemical Name:
Benzothiazole, 4-ethyl-5-isothiocyanato- (9CI)
CAS Number:
208458-52-0
IUPAC Name:
4-ethyl-5-isothiocyanato-1,3-benzothiazole
InChI:
InChI=1S/C10H8N2S2/c1-2-7-8(11-5-13)3-4-9-10(7)12-6-14-9/h3-4,6H,2H2,1H3
InChI Key:
NSLZLJPOUSOIFT-UHFFFAOYSA-N
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.013g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.308g/mol
Monoisotopic Mass:
220.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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