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116505-60-3 | 4H-Pyrrolo[2,1-d]-1,3,5-dithiazine, tetrahydro-2,4-dimethyl-, (2S,4S,8aR)-
CAS No: 116505-60-3 Catalog No: AG000CN7 MDL No:
Product Description
Catalog Number:
AG000CN7
Chemical Name:
4H-Pyrrolo[2,1-d]-1,3,5-dithiazine, tetrahydro-2,4-dimethyl-, (2S,4S,8aR)-
CAS Number:
116505-60-3
Molecular Formula:
C8H15NS2
Molecular Weight:
189.3414
IUPAC Name:
2,4-dimethyl-6,7-dihydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
InChI:
InChI=1S/C8H13NS2/c1-6-9-5-3-4-8(9)11-7(2)10-6/h4,6-7H,3,5H2,1-2H3
InChI Key:
QXGJYXDVHVXKHW-UHFFFAOYSA-N
SMILES:
C[C@H]1S[C@@H](C)N2[C@H](S1)CCC2
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.049g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.319g/mol
Monoisotopic Mass:
187.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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