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23515-27-7 | 2H-1,3,5-Thiadiazine-2-thione, 3-(4-chlorophenyl)tetrahydro-5-(2-hydroxyethyl)-
CAS No: 23515-27-7 Catalog No: AG002NIZ MDL No:
Product Description
Catalog Number:
AG002NIZ
Chemical Name:
2H-1,3,5-Thiadiazine-2-thione, 3-(4-chlorophenyl)tetrahydro-5-(2-hydroxyethyl)-
CAS Number:
23515-27-7
Molecular Formula:
C11H13ClN2OS2
Molecular Weight:
288.8167
IUPAC Name:
3-(4-chlorophenyl)-5-(2-hydroxyethyl)-1,3,5-thiadiazinane-2-thione
InChI:
InChI=1S/C11H13ClN2OS2/c12-9-1-3-10(4-2-9)14-7-13(5-6-15)8-17-11(14)16/h1-4,15H,5-8H2
InChI Key:
LZBGTTMFPNVASD-UHFFFAOYSA-N
SMILES:
OCCN1CSC(=S)N(C1)c1ccc(cc1)Cl
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.016g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
288.808g/mol
Monoisotopic Mass:
288.016g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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