Cas no 5328-35-8 (2-Imidazolidinethione,hydrobromide (1:1))
5328-35-8 structure
Product Name:2-Imidazolidinethione,hydrobromide (1:1)
CAS No:5328-35-8
MF:C3H7BrN2S
MW:183.070078134537
CID:378521
PubChem ID:24180854
Update Time:2025-04-19
2-Imidazolidinethione,hydrobromide (1:1) Chemical and Physical Properties
Names and Identifiers
-
- 2-Imidazolidinethione,hydrobromide (1:1)
- 2-Imidazolidinethione,monohydrobromide (9CI)
- 2-IMIDAZOLIDINETHIONE, HYDROBROMIDE
- imidazolidine-2-thione
- NSC-1938
- DTXSID30967859
- CHEMBL2002318
- 4,5-Dihydro-1H-imidazole-2-thiol--hydrogen bromide (1/1)
- NSC1938
- 5328-35-8
-
- Inchi： 1S/C3H6N2S.BrH/c6-3-4-1-2-5-3;/h1-2H2,(H2,4,5,6);1H
- InChI Key： BADBZEULTRZERS-UHFFFAOYSA-N
- SMILES： Br.S=C1NCCN1
Computed Properties
- Exact Mass: 181.95141
- Monoisotopic Mass: 102.025
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 6
- Rotatable Bond Count: 0
- Complexity: 63.2
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: _0.7
- Topological Polar Surface Area: 56.2A^2
Experimental Properties
- Ionization Potential: 8.15 eV
- Color/Form: 白色至淡綠色結(jié)晶 粉末
- Density: 1.27
- Melting Point: 203 deg C
- Boiling Point: 397 to 399° F (NTP, 1992)
- Flash Point: 486° F (NTP, 1992)
- Refractive Index: 1.664
- PSA: 24.06
- LogP: 1.07980
2-Imidazolidinethione,hydrobromide (1:1) Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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