Cas no 54244-10-9 (1,3-diheptylthiourea)
1,3-diheptylthiourea structure
Product Name:1,3-diheptylthiourea
CAS No:54244-10-9
MF:C15H32N2S
MW:272.49298286438
CID:1588215
PubChem ID:3034741
Update Time:2025-04-21
1,3-diheptylthiourea Chemical and Physical Properties
Names and Identifiers
-
- 1,3-diheptylthiourea
- thiourea, N,N'-diheptyl-
- N,N'-Diheptylthiourea
- N,N'-diheptyl-Thiourea
- DTXSID2068927
- SCHEMBL1276257
- 54244-10-9
- AKOS024336253
- DB-326860
-
- Inchi： 1S/C15H32N2S/c1-3-5-7-9-11-13-16-15(18)17-14-12-10-8-6-4-2/h3-14H2,1-2H3,(H2,16,17,18)
- InChI Key： ZVFTWKBRNQSRLB-UHFFFAOYSA-N
- SMILES： S=C(NCCCCCCC)NCCCCCCC
Computed Properties
- Exact Mass: 272.22886
- Monoisotopic Mass: 272.22862020g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 18
- Rotatable Bond Count: 12
- Complexity: 165
- 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: 6
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
1,3-diheptylthiourea Related Literature
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1. 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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A. B. F. da Silva,K. Capelle Phys. Chem. Chem. Phys., 2009,11, 4564-4569
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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