Cas no 37914-75-3 (Carbamimidothioic acid,2-(ethylamino)ethyl ester, dihydrobromide (9CI))
37914-75-3 structure
Product Name:Carbamimidothioic acid,2-(ethylamino)ethyl ester, dihydrobromide (9CI)
CAS No:37914-75-3
MF:C5H15Br2N3S
MW:309.065697908401
CID:316462
PubChem ID:216940
Update Time:2025-04-19
Carbamimidothioic acid,2-(ethylamino)ethyl ester, dihydrobromide (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Carbamimidothioic acid,2-(ethylamino)ethyl ester, dihydrobromide (9CI)
- 2-(ethylamino)ethyl carbamimidothioate,dihydrobromide
- Carbamimidothioic acid, 2-(ethylamino)ethyl ester, dihydrobromide
- 37914-75-3
- 2-(Ethylamino)ethyl-2-thiopseudourea dihydrobromide
- DTXSID80191349
- Pseudourea, 2-(2-(ethylamino)ethyl)-2-thio-, dihydrobromide
-
- Inchi： 1S/C5H13N3S.2BrH/c1-2-8-3-4-9-5(6)7;;/h8H,2-4H2,1H3,(H3,6,7);2*1H
- InChI Key： GBHUEUSGSDHNOL-UHFFFAOYSA-N
- SMILES： Br.Br.S(C(=N)N)CCNCC
Computed Properties
- Exact Mass: 306.93545
- Monoisotopic Mass: 306.935
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 5
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 84.3
- 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: 87.2?2
Experimental Properties
- Boiling Point: 238.9°Cat760mmHg
- Flash Point: 98.3°C
- PSA: 61.9
Carbamimidothioic acid,2-(ethylamino)ethyl ester, dihydrobromide (9CI) Related Literature
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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