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102332-89-8 | 5H-Pyrido[1',2':4,5][1,2,4]thiadiazino[2,3-a]benzimidazol-13-ium (9CI)
CAS No: 102332-89-8 Catalog No: AG00077V MDL No:
Product Description
Catalog Number:
AG00077V
Chemical Name:
5H-Pyrido[1',2':4,5][1,2,4]thiadiazino[2,3-a]benzimidazol-13-ium (9CI)
CAS Number:
102332-89-8
Molecular Formula:
C13H10N3S+
Molecular Weight:
240.3036
IUPAC Name:
9-thia-10,17-diaza-2-azoniatetracyclo[8.7.0.02,7.011,16]heptadeca-1(17),2,4,6,11,13,15-heptaene
InChI:
InChI=1S/C13H10N3S/c1-2-7-12-11(6-1)14-13-15-8-4-3-5-10(15)9-17-16(12)13/h1-8H,9H2/q+1
InChI Key:
MQHNIGPTJLGAGH-UHFFFAOYSA-N
SMILES:
c1cc[n+]2c(c1)CSn1c2nc2c1cccc2
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.06g/mol
Formal Charge:
1
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.304g/mol
Monoisotopic Mass:
240.06g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
47A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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