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1303968-50-4 | 2-Benzothiazolamine, 5-(1,1-dimethylethyl)-
CAS No: 1303968-50-4 Catalog No: AG000UCP MDL No:MFCD15071491
Product Description
Catalog Number:
AG000UCP
Chemical Name:
2-Benzothiazolamine, 5-(1,1-dimethylethyl)-
CAS Number:
1303968-50-4
Molecular Formula:
C11H14N2S
Molecular Weight:
206.3073
MDL Number:
MFCD15071491
IUPAC Name:
5-tert-butyl-1,3-benzothiazol-2-amine
InChI:
InChI=1S/C11H14N2S/c1-11(2,3)7-4-5-9-8(6-7)13-10(12)14-9/h4-6H,1-3H3,(H2,12,13)
InChI Key:
XPSGSWDTMNDZOC-UHFFFAOYSA-N
SMILES:
Nc1sc2c(n1)cc(cc2)C(C)(C)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.088g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
206.307g/mol
Monoisotopic Mass:
206.088g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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