-
Name
4-TERT-BUTOXYCARBONYLAMINO-THIOPHENE-3-CARBOXYLIC ACID
- EINECS
- CAS No. 108180-63-8
- Article Data5
- CAS DataBase
- Density 1.348
- Solubility
- Melting Point
- Formula C10H13 N O4 S
- Boiling Point 334.205oC at 760 mmHg
- Molecular Weight 243.28000
- Flash Point 155.922°C
- Transport Information
- Appearance
- Safety
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms 4-TERT-BUTOXYCARBONYLAMINO-THIOPHENE-3-CARBOXYLIC ACID;4-[[(tert-Butoxy)carbonyl]amino]-3-thiophenecarboxylic acid;3-Thiophenecarboxylic acid, 4-[[(1,1-dimethylethoxy)carbonyl]amino]-
- PSA 103.87000
- LogP 2.86630
4-[[(tert-Butoxy)carbonyl]amino]-3-thiophenecarboxylic acid Chemical Properties
Molecule structure of 4-[[(tert-Butoxy)carbonyl]amino]-3-thiophenecarboxylic acid (CAS NO.108180-63-8):
IUPAC Name: 4-[(2-Methylpropan-2-yl)oxycarbonylamino]thiophene-3-carboxylic acid
Molecular Weight: 243.27952 [g/mol]
Molecular Formula: C10H13NO4S
Index of Refraction: 1.597
Molar Refractivity: 61.449 cm3
Molar Volume: 180.456 cm3
Surface Tension: 54.547 dyne/cm
Density: 1.348 g/cm3
Flash Point: 155.922 °C
Enthalpy of Vaporization: 60.918 kJ/mol
Boiling Point: 334.205 °C at 760 mmHg
XLogP3-AA: 2.2
H-Bond Donor: 2
H-Bond Acceptor: 4
Rotatable Bond Count: 4
Tautomer Count: 2
Exact Mass: 243.056529
MonoIsotopic Mass: 243.056529
Topological Polar Surface Area: 75.6
Heavy Atom Count: 16
Canonical SMILES: CC(C)(C)OC(=O)NC1=CSC=C1C(=O)O
InChI: InChI=1S/C10H13NO4S/c1-10(2,3)15-9(14)11-7-5-16-4-6(7)8(12)13/h4-5H,1-3H3,(H,11,14)(H,12,13)
InChIKey of 4-[[(tert-Butoxy)carbonyl]amino]-3-thiophenecarboxylic acid (CAS NO.108180-63-8): XYOGFDWFZFHNTL-UHFFFAOYSA-N
4-[[(tert-Butoxy)carbonyl]amino]-3-thiophenecarboxylic acid Specification
4-[[(tert-Butoxy)carbonyl]amino]-3-thiophenecarboxylic acid (CAS NO.108180-63-8) is also named as 4-[(tert-Butoxycarbonyl)amino]thiophene-3-carboxylic acid .
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