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88152-80-1 | 4,8-Methanothiazolo[5,4-c]azocine, 4,5,6,7,8,9-hexahydro-5-methyl-
CAS No: 88152-80-1 Catalog No: AG004D2O MDL No:
Product Description
Catalog Number:
AG004D2O
Chemical Name:
4,8-Methanothiazolo[5,4-c]azocine, 4,5,6,7,8,9-hexahydro-5-methyl-
CAS Number:
88152-80-1
Molecular Formula:
C10H14N2S
Molecular Weight:
194.2966
IUPAC Name:
11-methyl-3-thia-5,11-diazatricyclo[6.3.1.02,6]dodeca-2(6),4-diene
InChI:
InChI=1S/C10H14N2S/c1-12-3-2-7-4-8-10(9(12)5-7)13-6-11-8/h6-7,9H,2-5H2,1H3
InChI Key:
FPGSROKELZSZEC-UHFFFAOYSA-N
SMILES:
CN1CCC2CC1c1scnc1C2
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.088g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
194.296g/mol
Monoisotopic Mass:
194.088g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
44.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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