Cas no 14501-21-4 (1,3,4-Thiadiazolepropionamide (8CI))
14501-21-4 structure
Product Name:1,3,4-Thiadiazolepropionamide (8CI)
CAS No:14501-21-4
MF:C5H7N3OS
MW:157.193578958511
CID:120461
PubChem ID:45123473
Update Time:2025-04-18
1,3,4-Thiadiazolepropionamide (8CI) Chemical and Physical Properties
Names and Identifiers
-
- 1,3,4-Thiadiazolepropionamide (8CI)
- 1,3,4-Thiadiazole-2-propanamide
- 3-(1,3,4-thiadiazol-2-yl)propanamide
- 1,3,4-Thiadiazolepropionamide (8CI)
- DTXSID60669455
- 14501-21-4
-
- Inchi： 1S/C5H7N3OS/c6-4(9)1-2-5-8-7-3-10-5/h3H,1-2H2,(H2,6,9)
- InChI Key： MMKBZHZIAFBSJR-UHFFFAOYSA-N
- SMILES： S1C=NN=C1CCC(N)=O
Computed Properties
- Exact Mass: 157.03111
- Monoisotopic Mass: 157.031
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 3
- Complexity: 130
- 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
- Topological Polar Surface Area: 97.1A^2
- XLogP3: -0.5
Experimental Properties
- PSA: 68.87
1,3,4-Thiadiazolepropionamide (8CI) Related Literature
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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Raheleh Torabi,Hedayatollah Ghourchian,Massoud Amanlou Org. Biomol. Chem., 2016,14, 8141-8153
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
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5. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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