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132344-97-9 | 4H-Pyrrolo[2,1-d]-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl-
CAS No: 132344-97-9 Catalog No: AG0010KH MDL No:
Product Description
Catalog Number:
AG0010KH
Chemical Name:
4H-Pyrrolo[2,1-d]-1,3,5-dithiazine, 2-butyltetrahydro-4-methyl-
CAS Number:
132344-97-9
Molecular Formula:
C11H21NS2
Molecular Weight:
231.4211
IUPAC Name:
2-butyl-4-methyl-6,7,8,8a-tetrahydro-4H-pyrrolo[2,1-d][1,3,5]dithiazine
InChI:
InChI=1S/C11H21NS2/c1-3-4-7-11-13-9(2)12-8-5-6-10(12)14-11/h9-11H,3-8H2,1-2H3
InChI Key:
NCUIAOPINFJUBZ-UHFFFAOYSA-N
SMILES:
CCCCC1SC(C)N2C(S1)CCC2
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.112g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
231.416g/mol
Monoisotopic Mass:
231.112g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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