Cas no 16914-92-4 (Carbamimidothioic acid,hexadecyl ester, monohydrobromide (9CI))
16914-92-4 structure
Product Name:Carbamimidothioic acid,hexadecyl ester, monohydrobromide (9CI)
CAS No:16914-92-4
MF:C17H37BrN2S
MW:381.458082914352
CID:175901
PubChem ID:85642
Update Time:2025-04-19
Carbamimidothioic acid,hexadecyl ester, monohydrobromide (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamimidothioic acid,hexadecyl ester, monohydrobromide (9CI)
- hexadecyl carbamimidothioate,hydrobromide
- AC1L39WC
- amp
- Carbamimidothioic acid, hexadecyl ester, monohydrobromide
- NSC3506
- Pseudourea, 2-hexadecyl-2-thio-, hydrobromide
- S-Hexadecyl-isothioharnstoff, Hydrobromid
- S-hexadecyl-isothiourea, hydrobromide
- S-Hexadecyl-isothiouronium-bromid
- S-Hexadecylisothiuronium bromide
- S-n-hexadecylisothiourea hydrobromide
- WLN: MUYZS16 &
- DTXSID60937601
- WLN: MUYZS16 &EH
- Hexadecyl carbamimidothioate--hydrogen bromide (1/1)
- NSC-3506
- 16914-92-4
- NSC 3506
- Pseudourea, 2-hexadecyl-2-thio-, monohydrobromide
-
- Inchi： 1S/C17H36N2S.BrH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-17(18)19;/h2-16H2,1H3,(H3,18,19);1H
- InChI Key： CNTPNOHRVGTZNS-UHFFFAOYSA-N
- SMILES： Br.S(C(=N)N)CCCCCCCCCCCCCCCC
Computed Properties
- Exact Mass: 380.18631
- Monoisotopic Mass: 380.18608g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 21
- Rotatable Bond Count: 16
- Complexity: 207
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 75.2?2
Experimental Properties
- PSA: 49.87
- LogP: 7.85250
Carbamimidothioic acid,hexadecyl ester, monohydrobromide (9CI) Related Literature
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Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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