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23515-25-5 | 2H-1,3,5-Thiadiazine-2-thione, 3-(4-chlorophenyl)-5-ethyltetrahydro-
CAS No: 23515-25-5 Catalog No: AG002NJ1 MDL No:
Product Description
Catalog Number:
AG002NJ1
Chemical Name:
2H-1,3,5-Thiadiazine-2-thione, 3-(4-chlorophenyl)-5-ethyltetrahydro-
CAS Number:
23515-25-5
Molecular Formula:
C11H13ClN2S2
Molecular Weight:
272.8173
IUPAC Name:
3-(4-chlorophenyl)-5-ethyl-1,3,5-thiadiazinane-2-thione
InChI:
InChI=1S/C11H13ClN2S2/c1-2-13-7-14(11(15)16-8-13)10-5-3-9(12)4-6-10/h3-6H,2,7-8H2,1H3
InChI Key:
ISWQERVVICLCAN-UHFFFAOYSA-N
SMILES:
CCN1CSC(=S)N(C1)c1ccc(cc1)Cl
Properties
Complexity:
254
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.021g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.809g/mol
Monoisotopic Mass:
272.021g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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