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23514-96-7

23514-96-7 | 2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-bis(1-methyl-2-phenylethyl)-

CAS No: 23514-96-7 Catalog No: AG002NI7 MDL No:

Product Description

Catalog Number:
AG002NI7
Chemical Name:
2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-bis(1-methyl-2-phenylethyl)-
CAS Number:
23514-96-7
Molecular Formula:
C21H26N2S2
Molecular Weight:
370.5745
IUPAC Name:
3,5-bis(1-phenylpropan-2-yl)-1,3,5-thiadiazinane-2-thione
InChI:
InChI=1S/C21H26N2S2/c1-17(13-19-9-5-3-6-10-19)22-15-23(21(24)25-16-22)18(2)14-20-11-7-4-8-12-20/h3-12,17-18H,13-16H2,1-2H3
InChI Key:
NRYJOOYPJHAVNH-UHFFFAOYSA-N
SMILES:
CC(N1CSC(=S)N(C1)C(Cc1ccccc1)C)Cc1ccccc1

Properties

Complexity:
416  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
370.154g/mol
Formal Charge:
0
Heavy Atom Count:
25  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
370.573g/mol
Monoisotopic Mass:
370.154g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
63.9A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1  

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