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10038-75-2 | Thioxanthene-1-carbamic acid, N-[2-(diethylamino)ethyl]-9-oxo-, ethylene ester (8CI)
CAS No: 10038-75-2 Catalog No: AG0001U7 MDL No:
Product Description
Catalog Number:
AG0001U7
Chemical Name:
Thioxanthene-1-carbamic acid, N-[2-(diethylamino)ethyl]-9-oxo-, ethylene ester (8CI)
CAS Number:
10038-75-2
IUPAC Name:
2-[2-(diethylamino)ethyl-(9-oxothioxanthen-1-yl)carbamoyl]oxyethyl N-[2-(diethylamino)ethyl]-N-(9-oxothioxanthen-1-yl)carbamate
InChI:
InChI=1S/C42H46N4O6S2/c1-5-43(6-2)23-25-45(31-17-13-21-35-37(31)39(47)29-15-9-11-19-33(29)53-35)41(49)51-27-28-52-42(50)46(26-24-44(7-3)8-4)32-18-14-22-36-38(32)40(48)30-16-10-12-20-34(30)54-36/h9-22H,5-8,23-28H2,1-4H3
InChI Key:
KDVRTSIMMDQTOP-UHFFFAOYSA-N
NSC Number:
42437
Properties
Complexity:
1170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
766.286g/mol
Formal Charge:
0
Heavy Atom Count:
54
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
766.972g/mol
Monoisotopic Mass:
766.286g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
150A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8
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