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104691-38-5 | 4H-1,3,5-Dithiazine, dihydro-4,6-dimethyl-2-propyl-
CAS No: 104691-38-5 Catalog No: AG007XOY MDL No:
Product Description
Catalog Number:
AG007XOY
Chemical Name:
4H-1,3,5-Dithiazine, dihydro-4,6-dimethyl-2-propyl-
CAS Number:
104691-38-5
Molecular Formula:
C8H17NS2
Molecular Weight:
191.3573
IUPAC Name:
4,6-dimethyl-2-propyl-1,3,5-dithiazinane
InChI:
InChI=1S/C8H17NS2/c1-4-5-8-10-6(2)9-7(3)11-8/h6-9H,4-5H2,1-3H3
InChI Key:
BLPPMRPCYSNRGW-UHFFFAOYSA-N
SMILES:
CCCC1SC(C)NC(S1)C
Properties
Complexity:
109
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:
2
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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