Cas no 912639-93-1 (4-Thiazolecarboxylic acid, 5-(hydroxymethyl)-, ethyl ester)
912639-93-1 structure
Product Name:4-Thiazolecarboxylic acid, 5-(hydroxymethyl)-, ethyl ester
CAS No:912639-93-1
MF:C7H9NO3S
MW:187.216260671616
CID:1961205
PubChem ID:68599145
Update Time:2025-04-21
4-Thiazolecarboxylic acid, 5-(hydroxymethyl)-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- 4-Thiazolecarboxylic acid, 5-(hydroxymethyl)-, ethyl ester
- 912639-93-1
- SCHEMBL3330523
- LBHVOXVBESGEMB-UHFFFAOYSA-N
- Ethyl 5-(hydroxymethyl)thiazole-4-carboxylate
- starbld0016461
- 4-ethoxycarbonyl-5-hydroxymethylthiazole
- AT24617
-
- Inchi： 1S/C7H9NO3S/c1-2-11-7(10)6-5(3-9)12-4-8-6/h4,9H,2-3H2,1H3
- InChI Key： LBHVOXVBESGEMB-UHFFFAOYSA-N
- SMILES： S1C=NC(C(=O)OCC)=C1CO
Computed Properties
- Exact Mass: 187.03031432Da
- Monoisotopic Mass: 187.03031432Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 165
- 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: 87.7?2
4-Thiazolecarboxylic acid, 5-(hydroxymethyl)-, ethyl ester Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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