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13539-14-5 | Benzothiazole, 2-(decylthio)-
CAS No: 13539-14-5 Catalog No: AG007ZLP MDL No:
Product Description
Catalog Number:
AG007ZLP
Chemical Name:
Benzothiazole, 2-(decylthio)-
CAS Number:
13539-14-5
Molecular Formula:
C17H25NS2
Molecular Weight:
307.5171
IUPAC Name:
2-decylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C17H25NS2/c1-2-3-4-5-6-7-8-11-14-19-17-18-15-12-9-10-13-16(15)20-17/h9-10,12-13H,2-8,11,14H2,1H3
InChI Key:
KBIAGZIECWSYBS-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCSc1nc2c(s1)cccc2
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
307.143g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.514g/mol
Monoisotopic Mass:
307.143g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
66.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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