Cas no 4270-03-5 (Carbamimidothioic acid,octyl ester, monohydrobromide (9CI))
4270-03-5 structure
Product Name:Carbamimidothioic acid,octyl ester, monohydrobromide (9CI)
CAS No:4270-03-5
MF:C9H21BrN2S
MW:269.245440244675
CID:334487
PubChem ID:12387368
Update Time:2025-04-19
Carbamimidothioic acid,octyl ester, monohydrobromide (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamimidothioic acid,octyl ester, monohydrobromide (9CI)
- pyrimidin-2-yl-thiocarbamic acid S-octyl ester;S-octyl-isothiourea,hydrobromide;S-Octadecyl-isothioharnstoff,Hydrobromid;S-octadecyl-isothiourea,hydrobromide;S-Octyl-isothiouronium-bromid;S-Octyl-isothioharnstoff,Hydrobromid;
- AKOS024332572
- DTXSID60962635
- NSC-97225
- 2-OCTYL-2-THIOPSEUDOUREA HYDROBROMIDE
- Octyl carbamimidothioate--hydrogen bromide (1/1)
- NSC97225
- 4270-03-5
-
- Inchi： 1S/C9H20N2S.BrH/c1-2-3-4-5-6-7-8-12-9(10)11;/h2-8H2,1H3,(H3,10,11);1H
- InChI Key： HBOHCOXKEOCJFA-UHFFFAOYSA-N
- SMILES： Br.S(C(=N)N)CCCCCCCC
Computed Properties
- Exact Mass: 268.06100
- Monoisotopic Mass: 268.06088g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 8
- Complexity: 115
- 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: 75.17000
- LogP: 4.73170
Carbamimidothioic acid,octyl ester, monohydrobromide (9CI) Related Literature
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
-
Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
-
Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
-
Qiaoe Wang,Meiling Lian,Xiaowen Zhu,Xu Chen RSC Adv., 2021,11, 192-197
4270-03-5 (Carbamimidothioic acid,octyl ester, monohydrobromide (9CI)) Related Products
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Yunnanjiuzhen
Gold Member
Audited Supplier
CN Supplier
Bulk
Shandong Feiyang Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Jiangsu Xinsu New Materials Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
上海嶸奧生物技術(shù)有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
