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208458-68-8 | Benzothiazole, 6-isothiocyanato-4,7-dimethyl- (9CI)
CAS No: 208458-68-8 Catalog No: AG00BLMP MDL No:
Product Description
Catalog Number:
AG00BLMP
Chemical Name:
Benzothiazole, 6-isothiocyanato-4,7-dimethyl- (9CI)
CAS Number:
208458-68-8
IUPAC Name:
6-isothiocyanato-4,7-dimethyl-1,3-benzothiazole
InChI:
InChI=1S/C10H8N2S2/c1-6-3-8(11-4-13)7(2)10-9(6)12-5-14-10/h3,5H,1-2H3
InChI Key:
JUDPNFIPIDHXJE-UHFFFAOYSA-N
Properties
Complexity:
263
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:
1
Topological Polar Surface Area:
85.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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