Cas no 16181-69-4 (Carbamimidothioic acid,methyl-, 2-aminoethyl ester, dihydrobromide (9CI))
16181-69-4 structure
Product Name:Carbamimidothioic acid,methyl-, 2-aminoethyl ester, dihydrobromide (9CI)
CAS No:16181-69-4
MF:C4H13Br2N3S
MW:295.039117574692
CID:163283
PubChem ID:204337
Update Time:2025-04-19
Carbamimidothioic acid,methyl-, 2-aminoethyl ester, dihydrobromide (9CI) Chemical and Physical Properties
Names and Identifiers
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- Carbamimidothioic acid,methyl-, 2-aminoethyl ester, dihydrobromide (9CI)
- 2-aminoethyl N'-methylcarbamimidothioate,dihydrobromide
- 16181-69-4
- Pseudourea, 2-(2-aminoethyl)-1-methyl-2-thio-, dihydrobromide
- Carbamimidothioic acid, methyl-, 2-aminoethyl ester, dihydrobromide
- 2-(2-Aminoethyl)-1-methyl-2-thiopseudourea dihydrobromide
- DTXSID80167246
-
- Inchi： 1S/C4H11N3S.2BrH/c1-7-4(6)8-3-2-5;;/h2-3,5H2,1H3,(H2,6,7);2*1H
- InChI Key： RAYGEFMWGWCJJG-UHFFFAOYSA-N
- SMILES： Br.Br.S(/C(/N)=N/C)CCN
Computed Properties
- Exact Mass: 292.91979
- Monoisotopic Mass: 292.92
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 81.4
- 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?2
Experimental Properties
- Boiling Point: 257.6°Cat760mmHg
- Flash Point: 109.6°C
- PSA: 64.4
Carbamimidothioic acid,methyl-, 2-aminoethyl ester, dihydrobromide (9CI) Related Literature
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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Jason Wan Lab Chip, 2020,20, 4528-4538
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5. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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