Cas no 1704-03-6 (Carbamimidothioic acid,ethyl-, 2-aminoethyl ester, dihydrobromide (9CI))
1704-03-6 structure
Product Name:Carbamimidothioic acid,ethyl-, 2-aminoethyl ester, dihydrobromide (9CI)
CAS No:1704-03-6
MF:C5H15Br2N3S
MW:309.065697908401
CID:164733
PubChem ID:102153
Update Time:2025-04-19
Carbamimidothioic acid,ethyl-, 2-aminoethyl ester, dihydrobromide (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamimidothioic acid,ethyl-, 2-aminoethyl ester, dihydrobromide (9CI)
- 2-aminoethyl N'-ethylcarbamimidothioate,dihydrobromide
- USAF B-61
- 1704-03-6
- Pseudourea, 2-(2-aminoethyl)-1-ethyl-2-thio-, dihydrobromide
- 1-Ethyl-2-(2-aminoethyl)isothiouronium dibromide
- Carbamimidothioic acid, ethyl-, 2-aminoethyl ester, dihydrobromide
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- Inchi: 1S/C5H13N3S.2BrH/c1-2-8-5(7)9-4-3-6;;/h2-4,6H2,1H3,(H2,7,8);2*1H
- InChI Key: HETKPDLDBOPSJP-UHFFFAOYSA-N
- SMILES: Br.Br.S(/C(/N)=N\CC)CCN
Computed Properties
- Exact Mass: 306.93545
- Monoisotopic Mass: 306.935343
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 92.2
- Covalently-Bonded Unit Count: 3
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 89.7
Experimental Properties
- Boiling Point: 267°Cat760mmHg
- Flash Point: 115.3°C
- PSA: 64.4
Carbamimidothioic acid,ethyl-, 2-aminoethyl ester, dihydrobromide (9CI) Related Literature
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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R. M. Pemberton,J. P. Hart,T. T. Mottram Analyst, 2001,126, 1866-1871
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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