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145318-08-7

145318-08-7 | Benzenecarbodithioic acid, triphenylmethyl ester

CAS No: 145318-08-7 Catalog No: AG001KT0 MDL No:

Product Description

Catalog Number:
AG001KT0
Chemical Name:
Benzenecarbodithioic acid, triphenylmethyl ester
CAS Number:
145318-08-7
Molecular Formula:
C26H20S2
Molecular Weight:
396.5670
IUPAC Name:
trityl benzenecarbodithioate
InChI:
InChI=1S/C26H20S2/c27-25(21-13-5-1-6-14-21)28-26(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChI Key:
GXDLLWATFRFIHL-UHFFFAOYSA-N
SMILES:
S=C(c1ccccc1)SC(c1ccccc1)(c1ccccc1)c1ccccc1

Properties

Complexity:
429  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
396.101g/mol
Formal Charge:
0
Heavy Atom Count:
28  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
396.566g/mol
Monoisotopic Mass:
396.101g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
57.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6  

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