4,5,6,7-Tetrahydrobenzo[b]thiophene-3-carboxylic Acid - CAS 19156-54-8
Catalog: |
BB014823 |
Product Name: |
4,5,6,7-Tetrahydrobenzo[b]thiophene-3-carboxylic Acid |
CAS: |
19156-54-8 |
Synonyms: |
4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid; 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid |
IUPAC Name: | 4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid |
Description: | 4,5,6,7-Tetrahydrobenzo[b]thiophene-3-carboxylic Acid (CAS# 19156-54-8) is a useful research chemical. |
Molecular Weight: | 182.24 |
Molecular Formula: | C9H10O2S |
Canonical SMILES: | C1CCC2=C(C1)C(=CS2)C(=O)O |
InChI: | InChI=1S/C9H10O2S/c10-9(11)7-5-12-8-4-2-1-3-6(7)8/h5H,1-4H2,(H,10,11) |
InChI Key: | TUZZQEHPGHKGRJ-UHFFFAOYSA-N |
Boiling Point: | 350.5 °C at 760 mmHg |
Density: | 1.317 g/cm3 |
Appearance: | Off-white to beige powder |
MDL: | MFCD00652575 |
LogP: | 2.32510 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2019154949-A1 | Fused thiophene derivatives and their uses | 20180208 |
EP-3749658-A1 | Fused thiophene derivatives and their uses | 20180208 |
RU-2016122342-A | METHOD FOR PRODUCING CYCLOPROPANOLES CONTAINING FIVE-membered HETEROCYCLES | 20160606 |
US-2017008905-A1 | Cot modulators and methods of use thereof | 20150706 |
US-2017152240-A1 | Cot modulators and methods of use thereof | 20150706 |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.04015073 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.04015073 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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