Cas no 40196-86-9 (2-Thiophenecarboxylic acid, 4-bromo-5-(1,1-dimethylethyl)-)
40196-86-9 structure
Product Name:2-Thiophenecarboxylic acid, 4-bromo-5-(1,1-dimethylethyl)-
CAS No:40196-86-9
MF:C9H11BrO2S
MW:263.151440858841
CID:925471
PubChem ID:53421290
Update Time:2025-04-19
2-Thiophenecarboxylic acid, 4-bromo-5-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Thiophenecarboxylic acid, 4-bromo-5-(1,1-dimethylethyl)-
- 4-BROMO-5-(1,1-DIMETHYLETHYL)-2-THIOPHENECARBOXYLIC ACID
- 4-bromo-5-tert-butylthiophene-2-carboxylic acid
- 3-Brom-2-t-butyl-5-thiophencarbonsaeure
- 4-BROMO-5-(TERT-BUTYL)-2-THIOPHENECARBOXYLIC ACID
- 4-bromo-5-tert-butyl-thiophene-2-carboxylic acid
- AG-F-42352
- CTK4I2647
- FT-0617841
- KB-190041
- SureCN5432685
- DTXSID60697773
- 40196-86-9
- 4-Bromo-5-(1,1-dimethylethyl)-2-thiophenecarboxylicacid
- SCHEMBL5432685
-
- Inchi： 1S/C9H11BrO2S/c1-9(2,3)7-5(10)4-6(13-7)8(11)12/h4H,1-3H3,(H,11,12)
- InChI Key： JRXXYAWUBZVUGE-UHFFFAOYSA-N
- SMILES： BrC1C=C(C(=O)O)SC=1C(C)(C)C
Computed Properties
- Exact Mass: 261.96631g/mol
- Monoisotopic Mass: 261.96631g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 212
- 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: 3.9
- Topological Polar Surface Area: 65.5?2
2-Thiophenecarboxylic acid, 4-bromo-5-(1,1-dimethylethyl)- 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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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Brindha J.,Balamurali M. M.,Kaushik Chanda RSC Adv., 2019,9, 34720-34734
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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