Cas no 6278-80-4 ( )
structure
Product Name:
CAS No:6278-80-4
MF:C33H68N2S
MW:524.971428871155
CID:957886
PubChem ID:3000718
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1,3-dihexadecylthiourea
- 1,3-Dihexadecyl-2-thiourea
- N,N'-Dihexadecyl-thioharnstoff
- N,N'-dihexadecyl-thiourea
- N.N'-Dicetyl-thioharnstoff
- 6278-80-4
- DS-000337
- NSC-34466
- DTXSID60388215
- NSC34466
- AKOS024432762
- SCHEMBL5452967
-
-
- Inchi： 1S/C33H68N2S/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-34-33(36)35-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-32H2,1-2H3,(H2,34,35,36)
- InChI Key： AMZQAMADELMUOH-UHFFFAOYSA-N
- SMILES： S=C(NCCCCCCCCCCCCCCCC)NCCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 524.51000
- Monoisotopic Mass: 524.51032135g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 36
- Rotatable Bond Count: 30
- Complexity: 377
- 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: 15.5
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 56.15000
- LogP: 12.19490
Related Literature
-
Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
-
Jialiang Yuan,Ran Dong,Yuan Li,Yang Liu,Zhuo Zheng,Yuxia Liu,Yan Sun,Benhe Zhong,Zhenguo Wu,Xiaodong Guo Chem. Commun., 2021,57, 13004-13007
-
Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
-
Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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