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17681-30-0 | 2-Benzothiazolemethanamine, N-methyl-
CAS No: 17681-30-0 Catalog No: AG0024XV MDL No:MFCD06738942
Product Description
Catalog Number:
AG0024XV
Chemical Name:
2-Benzothiazolemethanamine, N-methyl-
CAS Number:
17681-30-0
Molecular Formula:
C9H10N2S
Molecular Weight:
178.2541
MDL Number:
MFCD06738942
IUPAC Name:
1-(1,3-benzothiazol-2-yl)-N-methylmethanamine
InChI:
InChI=1S/C9H10N2S/c1-10-6-9-11-7-4-2-3-5-8(7)12-9/h2-5,10H,6H2,1H3
InChI Key:
XRUPROQYVHMNDL-UHFFFAOYSA-N
SMILES:
CNCc1nc2c(s1)cccc2
Properties
Complexity:
152
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.056g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
178.253g/mol
Monoisotopic Mass:
178.056g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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