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97772-47-9 | 9,12,15-Octadecatrienamide, N-(thioxothiazolidinyl)-, (Z,Z,Z)-
CAS No: 97772-47-9 Catalog No: AG005XQE MDL No:
Product Description
Catalog Number:
AG005XQE
Chemical Name:
9,12,15-Octadecatrienamide, N-(thioxothiazolidinyl)-, (Z,Z,Z)-
CAS Number:
97772-47-9
Molecular Formula:
C21H34N2OS2
Molecular Weight:
394.6375
IUPAC Name:
N-(4-sulfanylidene-1,3-thiazolidin-2-yl)octadeca-9,12,15-trienamide
InChI:
InChI=1S/C21H34N2OS2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19(24)22-21-23-20(25)18-26-21/h3-4,6-7,9-10,21H,2,5,8,11-18H2,1H3,(H,22,24)(H,23,25)
InChI Key:
YHFIAULXYYBKCI-UHFFFAOYSA-N
SMILES:
CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)NC1SCC(=S)N1
Properties
Complexity:
486
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
394.211g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
394.636g/mol
Monoisotopic Mass:
394.211g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
98.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
3
XLogP3:
6.3
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