Cas no 2986-21-2 (Carbamimidothioic acid,propyl ester)
2986-21-2 structure
Product Name:Carbamimidothioic acid,propyl ester
CAS No:2986-21-2
MF:C4H10N2S
MW:118.200599193573
CID:274097
PubChem ID:120987
Update Time:2025-04-19
Carbamimidothioic acid,propyl ester Chemical and Physical Properties
Names and Identifiers
-
- Carbamimidothioic acid,propyl ester
- S-propyl-isothiourea
- 2-Propyl-2-thiopseudourea
- Propilon
- Propylisothiuronium
- Pseudourea,2-propyl-2-thio- (6CI,7CI,8CI)
- S-Propylisothiourea
- propyl carbamimidothioate
- CHEMBL483092
- 2-Propyl-isothiourea
- DTXSID401312139
- AKOS013362488
- SCHEMBL7566193
- 2986-21-2
- BDBM50271829
- STL483836
-
- Inchi： 1S/C4H10N2S/c1-2-3-7-4(5)6/h2-3H2,1H3,(H3,5,6)
- InChI Key： JKHAGQZCIAFTOX-UHFFFAOYSA-N
- SMILES： S(C(=N)N)CCC
Computed Properties
- Exact Mass: 118.056
- Monoisotopic Mass: 118.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 3
- Complexity: 62.7
- 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: 1.1
- Topological Polar Surface Area: 75.2?2
Carbamimidothioic acid,propyl ester Related Literature
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1. 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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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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