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35327-71-0 | 9-methyl-1,2,3,3a-tetrahydropyrrolo[2,1-b][1,3]benzothiazol-9-ium chloride
CAS No: 35327-71-0 Catalog No: AG007DP7 MDL No:
Product Description
Catalog Number:
AG007DP7
Chemical Name:
9-methyl-1,2,3,3a-tetrahydropyrrolo[2,1-b][1,3]benzothiazol-9-ium chloride
CAS Number:
35327-71-0
Molecular Formula:
C11H14ClNS
Molecular Weight:
227.7536
IUPAC Name:
9-methyl-1,2,3,3a-tetrahydropyrrolo[2,1-b][1,3]benzothiazol-9-ium;chloride
InChI:
InChI=1S/C11H14NS.ClH/c1-12-8-4-7-11(12)13-10-6-3-2-5-9(10)12;/h2-3,5-6,11H,4,7-8H2,1H3;1H/q+1;/p-1
InChI Key:
ILMQVXGVAHFRPO-UHFFFAOYSA-M
SMILES:
C[N+]12CCCC1Sc1c2cccc1.[Cl-]
Properties
Complexity:
218
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
227.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.75g/mol
Monoisotopic Mass:
227.054g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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