Cas no 89499-41-2 (2-Thiophenecarboxylic acid, 4-amino-5-chloro-)
89499-41-2 structure
Product Name:2-Thiophenecarboxylic acid, 4-amino-5-chloro-
CAS No:89499-41-2
MF:C5H4ClNO2S
MW:177.608758926392
CID:598735
PubChem ID:3590526
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 4-amino-5-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 4-amino-5-chloro-
- 4-amino-5-chlorothiophene-2-carboxylic acid
- 0723
- 2-Thiophenecarboxylic acid,4-amino-5-chloro
- AmbscPOD_01
- SCHEMBL4066777
- DTXSID40393948
- 89499-41-2
-
- Inchi： 1S/C5H4ClNO2S/c6-4-2(7)1-3(10-4)5(8)9/h1H,7H2,(H,8,9)
- InChI Key： AZXFRUSWZQOXLB-UHFFFAOYSA-N
- SMILES： ClC1=C(C=C(C(=O)O)S1)N
Computed Properties
- Exact Mass: 176.96500
- Monoisotopic Mass: 176.965
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 155
- 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: 1.7
- Topological Polar Surface Area: 91.6?2
Experimental Properties
- PSA: 91.56000
- LogP: 2.26310
2-Thiophenecarboxylic acid, 4-amino-5-chloro- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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