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16832-62-5 | 2-(HEXAMETHYLENEIMINOTHIO)BENZOTHIAZOLE
CAS No: 16832-62-5 Catalog No: AG00B1TG MDL No:
Product Description
Catalog Number:
AG00B1TG
Chemical Name:
2-(HEXAMETHYLENEIMINOTHIO)BENZOTHIAZOLE
CAS Number:
16832-62-5
IUPAC Name:
2-(azepan-1-ylsulfanyl)-1,3-benzothiazole
InChI:
InChI=1S/C13H16N2S2/c1-2-6-10-15(9-5-1)17-13-14-11-7-3-4-8-12(11)16-13/h3-4,7-8H,1-2,5-6,9-10H2
InChI Key:
RTFZYCYHJXKQHW-UHFFFAOYSA-N
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.075g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
264.405g/mol
Monoisotopic Mass:
264.075g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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