Cas no 52420-80-1 ( )
structure
Product Name:
CAS No:52420-80-1
MF:C19H24N4S2
MW:372.550661087036
CID:936880
PubChem ID:3911831
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-phenyl-3-[5-(phenylcarbamothioylamino)pentyl]thiourea
- AC1N05V4
- N',N'''-pentane-1,5-diylbis[1-phenyl(thiourea)]
- NSC138474
- NSC-138474
- 52420-80-1
- DTXSID30397915
- DS-014334
- N,N'-Pentane-1,5-diylbis[N'-phenyl(thiourea)]
- 3-Phenyl-1-[5-(phenylthiocarbamoylamino)pentyl]thiourea
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- Inchi： 1S/C19H24N4S2/c24-18(22-16-10-4-1-5-11-16)20-14-8-3-9-15-21-19(25)23-17-12-6-2-7-13-17/h1-2,4-7,10-13H,3,8-9,14-15H2,(H2,20,22,24)(H2,21,23,25)
- InChI Key： NWDCVSVUPSSRAM-UHFFFAOYSA-N
- SMILES： S=C(NC1C=CC=CC=1)NCCCCCNC(NC1C=CC=CC=1)=S
Computed Properties
- Exact Mass: 372.14452
- Monoisotopic Mass: 372.14423913g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 25
- Rotatable Bond Count: 8
- Complexity: 355
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3
- Topological Polar Surface Area: 112?2
Experimental Properties
- PSA: 48.12
- LogP: 5.05770
Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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