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5935-81-9 | 5-Benzothiazolemethanol,2-methyl-alpha-propyl-(7CI,8CI)
CAS No: 5935-81-9 Catalog No: AG00EOB2 MDL No:
Product Description
Catalog Number:
AG00EOB2
Chemical Name:
5-Benzothiazolemethanol,2-methyl-alpha-propyl-(7CI,8CI)
CAS Number:
5935-81-9
IUPAC Name:
1-(2-methyl-1,3-benzothiazol-5-yl)butan-1-ol
InChI:
InChI=1S/C12H15NOS/c1-3-4-11(14)9-5-6-12-10(7-9)13-8(2)15-12/h5-7,11,14H,3-4H2,1-2H3
InChI Key:
RMGMFLLVDLSVCQ-UHFFFAOYSA-N
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.087g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
221.318g/mol
Monoisotopic Mass:
221.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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