Cas no 62557-12-4 (4-Thiazoleacetic acid, 2-[[(methylamino)carbonyl]amino]-)
![4-Thiazoleacetic acid, 2-[[(methylamino)carbonyl]amino]- structure](https://ossimg.kuujia.com/scimg/63000/62557-12-4x500.png)
62557-12-4 structure
Product Name:4-Thiazoleacetic acid, 2-[[(methylamino)carbonyl]amino]-
CAS No:62557-12-4
MF:C7H9N3O3S
MW:215.229659795761
CID:440308
PubChem ID:20288645
Update Time:2025-04-19
4-Thiazoleacetic acid, 2-[[(methylamino)carbonyl]amino]- Chemical and Physical Properties
Names and Identifiers
-
- 4-Thiazoleacetic acid, 2-[[(methylamino)carbonyl]amino]-
- 2-[2-(methylcarbamoylamino)-1,3-thiazol-4-yl]acetic acid
- 2-(3-methylureido)thiazol-4-ylacetic acid
- DTXSID40604682
- {2-[(Methylcarbamoyl)amino]-1,3-thiazol-4-yl}acetic acid
- 62557-12-4
- KLJLENAZCWNUEC-UHFFFAOYSA-N
- SCHEMBL11373904
-
- Inchi： 1S/C7H9N3O3S/c1-8-6(13)10-7-9-4(3-14-7)2-5(11)12/h3H,2H2,1H3,(H,11,12)(H2,8,9,10,13)
- InChI Key： KLJLENAZCWNUEC-UHFFFAOYSA-N
- SMILES： S1C=C(CC(=O)O)N=C1NC(NC)=O
Computed Properties
- Exact Mass: 215.03657
- Monoisotopic Mass: 215.03646233g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 236
- 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: -0.2
- Topological Polar Surface Area: 120?2
Experimental Properties
- PSA: 91.32
4-Thiazoleacetic acid, 2-[[(methylamino)carbonyl]amino]- Related Literature
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Chung-Sung Yang,Mong-Shian Shih,Fang-Yi Chang New J. Chem., 2006,30, 729-735
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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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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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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