Cas no 53305-88-7 (Thiourea, N-(3-iodophenyl)-N'-methyl-)
53305-88-7 structure
Product Name:Thiourea, N-(3-iodophenyl)-N'-methyl-
CAS No:53305-88-7
MF:C8H9IN2S
MW:292.139932394028
CID:357597
PubChem ID:12273789
Update Time:2025-04-19
Thiourea, N-(3-iodophenyl)-N'-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-(3-iodophenyl)-N'-methyl-
- 1-(3-iodophenyl)-3-methylthiourea
- DTXSID50483561
- 53305-88-7
-
- Inchi： 1S/C8H9IN2S/c1-10-8(12)11-7-4-2-3-6(9)5-7/h2-5H,1H3,(H2,10,11,12)
- InChI Key： WHBUKMDGKPJWCQ-UHFFFAOYSA-N
- SMILES： IC1=CC=CC(=C1)NC(NC)=S
Computed Properties
- Exact Mass: 291.95277
- Monoisotopic Mass: 291.95312g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 163
- 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: 3.1
- Topological Polar Surface Area: 56.2?2
Experimental Properties
- PSA: 24.06
Thiourea, N-(3-iodophenyl)-N'-methyl- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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3. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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