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202192-95-8 | 3-Ethylbenzo[d]thiazol-2(3H)-imine 4-methylbenzenesulfonate
CAS No: 202192-95-8 Catalog No: AG01FN38 MDL No:MFCD28369876
Product Description
Catalog Number:
AG01FN38
Chemical Name:
3-Ethylbenzo[d]thiazol-2(3H)-imine 4-methylbenzenesulfonate
CAS Number:
202192-95-8
Molecular Formula:
C16H18N2O3S2
Molecular Weight:
350.4557
MDL Number:
MFCD28369876
IUPAC Name:
3-ethyl-1,3-benzothiazol-2-imine;4-methylbenzenesulfonic acid
InChI:
InChI=1S/C9H10N2S.C7H8O3S/c1-2-11-7-5-3-4-6-8(7)12-9(11)10;1-6-2-4-7(5-3-6)11(8,9)10/h3-6,10H,2H2,1H3;2-5H,1H3,(H,8,9,10)
InChI Key:
JSSVVZYJFXHEIB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)O.CCn1c(=N)sc2c1cccc2
Properties
Complexity:
399
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.076g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
350.451g/mol
Monoisotopic Mass:
350.076g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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