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23515-26-6 | 2H-1,3,5-Thiadiazine-2-thione, 5-butyl-3-(4-chlorophenyl)tetrahydro-
CAS No: 23515-26-6 Catalog No: AG002NJ0 MDL No:
Product Description
Catalog Number:
AG002NJ0
Chemical Name:
2H-1,3,5-Thiadiazine-2-thione, 5-butyl-3-(4-chlorophenyl)tetrahydro-
CAS Number:
23515-26-6
Molecular Formula:
C13H17ClN2S2
Molecular Weight:
300.8705
IUPAC Name:
5-butyl-3-(4-chlorophenyl)-1,3,5-thiadiazinane-2-thione
InChI:
InChI=1S/C13H17ClN2S2/c1-2-3-8-15-9-16(13(17)18-10-15)12-6-4-11(14)5-7-12/h4-7H,2-3,8-10H2,1H3
InChI Key:
BLJBPSAIWCSXAO-UHFFFAOYSA-N
SMILES:
CCCCN1CSC(=S)N(C1)c1ccc(cc1)Cl
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.052g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.863g/mol
Monoisotopic Mass:
300.052g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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