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16416-95-8 | Methanamine, N-(3-methyl-2(3H)-benzothiazolylidene)-
CAS No: 16416-95-8 Catalog No: AG001UP6 MDL No:
Product Description
Catalog Number:
AG001UP6
Chemical Name:
Methanamine, N-(3-methyl-2(3H)-benzothiazolylidene)-
CAS Number:
16416-95-8
Molecular Formula:
C9H10N2S
Molecular Weight:
178.2541
IUPAC Name:
N,3-dimethyl-1,3-benzothiazol-2-imine
InChI:
InChI=1S/C9H10N2S/c1-10-9-11(2)7-5-3-4-6-8(7)12-9/h3-6H,1-2H3
InChI Key:
URRKBKPDLWIJFD-UHFFFAOYSA-N
SMILES:
CN=c1sc2c(n1C)cccc2
Properties
Complexity:
203
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:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.253g/mol
Monoisotopic Mass:
178.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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