Cas no 62552-52-7 (Thiourea, N-pentyl-N'-tridecyl-)
62552-52-7 structure
Product Name:Thiourea, N-pentyl-N'-tridecyl-
CAS No:62552-52-7
MF:C19H40N2S
MW:328.599304199219
CID:440545
PubChem ID:20322746
Update Time:2025-04-19
Thiourea, N-pentyl-N'-tridecyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-pentyl-N'-tridecyl-
- 1-pentyl-3-tridecylthiourea
- N-Pentyl-N'-tridecylthiourea
- DTXSID60605272
- SCHEMBL11595468
- 62552-52-7
-
- Inchi： 1S/C19H40N2S/c1-3-5-7-8-9-10-11-12-13-14-16-18-21-19(22)20-17-15-6-4-2/h3-18H2,1-2H3,(H2,20,21,22)
- InChI Key： QJOZKRIWSDFERX-UHFFFAOYSA-N
- SMILES： S=C(NCCCCC)NCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 328.2915
- Monoisotopic Mass: 328.29122046g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 22
- Rotatable Bond Count: 16
- Complexity: 232
- 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: 7.9
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
Thiourea, N-pentyl-N'-tridecyl- Related Literature
-
Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
-
Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
-
Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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