Cas no 162880-44-6 (5-Thiazolecarboxylicacid, 2,4-diamino-)
162880-44-6 structure
Product Name:5-Thiazolecarboxylicacid, 2,4-diamino-
CAS No:162880-44-6
MF:C4H5N3O2S
MW:159.166398763657
CID:110072
PubChem ID:19935288
Update Time:2025-04-18
5-Thiazolecarboxylicacid, 2,4-diamino- Chemical and Physical Properties
Names and Identifiers
-
- 5-Thiazolecarboxylicacid, 2,4-diamino-
- 2,4-diamino-1,3-thiazole-5-carboxylic acid
- 2,4-diaminothiazole-5-carboxylic acid
- 5-Thiazolecarboxylicacid,2,4-diamino-(9CI)
- 162880-44-6
- DTXSID50601400
- SCHEMBL8627631
- 5-Thiazolecarboxylic acid, 2,4-diamino-
- CS-0498695
-
- MDL： MFCD18822147
- Inchi： 1S/C4H5N3O2S/c5-2-1(3(8)9)10-4(6)7-2/h5H2,(H2,6,7)(H,8,9)
- InChI Key： YJZORBHGLHJOHS-UHFFFAOYSA-N
- SMILES： S1C(N)=NC(=C1C(=O)O)N
Computed Properties
- Exact Mass: 159.01035
- Monoisotopic Mass: 159.01024758g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 153
- 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: 131?2
Experimental Properties
- PSA: 102.23
5-Thiazolecarboxylicacid, 2,4-diamino- Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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