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14372-65-7 | 2-Benzothiazolamine, 6-butoxy-
CAS No: 14372-65-7 Catalog No: AG001I9I MDL No:
Product Description
Catalog Number:
AG001I9I
Chemical Name:
2-Benzothiazolamine, 6-butoxy-
CAS Number:
14372-65-7
Molecular Formula:
C11H14N2OS
Molecular Weight:
222.3067
IUPAC Name:
6-butoxy-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C11H14N2OS/c1-2-3-6-14-8-4-5-9-10(7-8)15-11(12)13-9/h4-5,7H,2-3,6H2,1H3,(H2,12,13)
InChI Key:
UZJMSFZHPMSAHI-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc2c(c1)sc(n2)N
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.083g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.306g/mol
Monoisotopic Mass:
222.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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