Cas no 61957-94-6 (2-Butenedioic acid, 2-[(carboxymethyl)thio]-, (Z)-)
![2-Butenedioic acid, 2-[(carboxymethyl)thio]-, (Z)- structure](https://ossimg.kuujia.com/scimg/62000/61957-94-6x500.png)
61957-94-6 structure
Product Name:2-Butenedioic acid, 2-[(carboxymethyl)thio]-, (Z)-
CAS No:61957-94-6
MF:C6H6O6S
MW:206.173241138458
CID:1631203
PubChem ID:71391032
Update Time:2025-04-21
2-Butenedioic acid, 2-[(carboxymethyl)thio]-, (Z)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butenedioic acid, 2-[(carboxymethyl)thio]-, (Z)-
- 2-(carboxymethylsulfanyl)but-2-enedioic acid
- 2-[(Carboxymethyl)sulfanyl]but-2-enedioic acid
- DTXSID40812922
- 61957-94-6
-
- Inchi： 1S/C6H6O6S/c7-4(8)1-3(6(11)12)13-2-5(9)10/h1H,2H2,(H,7,8)(H,9,10)(H,11,12)
- InChI Key： MZKXFEZHZZNLLK-UHFFFAOYSA-N
- SMILES： S(C(C(=O)O)=CC(=O)O)CC(=O)O
Computed Properties
- Exact Mass: 205.98848
- Monoisotopic Mass: 205.98850908g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 7
- Heavy Atom Count: 13
- Rotatable Bond Count: 5
- Complexity: 268
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: -0.1
- Topological Polar Surface Area: 137?2
Experimental Properties
- PSA: 111.9
2-Butenedioic acid, 2-[(carboxymethyl)thio]-, (Z)- Related Literature
-
Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
-
Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
-
Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
61957-94-6 (2-Butenedioic acid, 2-[(carboxymethyl)thio]-, (Z)-) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)
Recommended suppliers
Beyond Pharmaceutical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
Essenoi Fine Chemical Co., Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
Changzhou Guanjia Chemical Co., Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
上海帛亦醫(yī)藥科技有限公司
Gold Member
Audited Supplier
CN Supplier
Reagent
Shanghai Joy Biotech Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
