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148229-65-6 | 2-Propanethiol, 1,1',1''-[nitrilotris(2,1-ethanediylimino)]tris[2-methyl- (9CI)
CAS No: 148229-65-6 Catalog No: AG001FJT MDL No:
Product Description
Catalog Number:
AG001FJT
Chemical Name:
2-Propanethiol, 1,1',1''-[nitrilotris(2,1-ethanediylimino)]tris[2-methyl- (9CI)
CAS Number:
148229-65-6
Molecular Formula:
C18H42N4S3
Molecular Weight:
410.7479
IUPAC Name:
1-[2-[bis[2-[(2-methyl-2-sulfanylpropyl)amino]ethyl]amino]ethylamino]-2-methylpropane-2-thiol
InChI:
InChI=1S/C18H42N4S3/c1-16(2,23)13-19-7-10-22(11-8-20-14-17(3,4)24)12-9-21-15-18(5,6)25/h19-21,23-25H,7-15H2,1-6H3
InChI Key:
FNKQGIVUDLLYJC-UHFFFAOYSA-N
SMILES:
CC(CNCCN(CCNCC(S)(C)C)CCNCC(S)(C)C)(S)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
410.257g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
6
Isotope Atom Count:
0
Molecular Weight:
410.742g/mol
Monoisotopic Mass:
410.257g/mol
Rotatable Bond Count:
15
Topological Polar Surface Area:
42.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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