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104691-40-9 | 4H-1,3,5-Dithiazine,dihydro-4,6-dimethyl-2-(1-methylethyl)-
CAS No: 104691-40-9 Catalog No: AG007GOF MDL No:
Product Description
Catalog Number:
AG007GOF
Chemical Name:
4H-1,3,5-Dithiazine,dihydro-4,6-dimethyl-2-(1-methylethyl)-
CAS Number:
104691-40-9
Molecular Formula:
C8H17NS2
Molecular Weight:
191.3573
IUPAC Name:
4,6-dimethyl-2-propan-2-yl-1,3,5-dithiazinane
InChI:
InChI=1S/C8H17NS2/c1-5(2)8-10-6(3)9-7(4)11-8/h5-9H,1-4H3
InChI Key:
ZNOHVVXGIQIPAU-UHFFFAOYSA-N
SMILES:
CC1NC(C)SC(S1)C(C)C
UNII:
215S2I93XT
FEMA Number:
3782
Properties
Complexity:
117
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
191.08g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
191.351g/mol
Monoisotopic Mass:
191.08g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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