Benzo[b]thiophene-3-acetic acid - CAS 1131-09-5
Catalog: |
BB003101 |
Product Name: |
Benzo[b]thiophene-3-acetic acid |
CAS: |
1131-09-5 |
Synonyms: |
2-(1-benzothiophen-3-yl)acetic acid; 2-(1-benzothiophen-3-yl)acetic acid |
IUPAC Name: | 2-(1-benzothiophen-3-yl)acetic acid |
Description: | Benzo[b]thiophene-3-acetic acid (CAS# 1131-09-5) is a useful research chemical. |
Molecular Weight: | 192.23 |
Molecular Formula: | C10H8O2S |
Canonical SMILES: | C1=CC=C2C(=C1)C(=CS2)CC(=O)O |
InChI: | InChI=1S/C10H8O2S/c11-10(12)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6H,5H2,(H,11,12) |
InChI Key: | VFZQJKXVHYZXMM-UHFFFAOYSA-N |
Boiling Point: | 378.7 ℃ at 760 mmHg |
Purity: | 95 % |
Density: | 1.368 g/cm3 |
Appearance: | White crystalline powder |
Storage: | Keep in dark place, Sealed in dry, Room Temperature |
MDL: | MFCD00051637 |
LogP: | 2.52840 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020369673-A1 | Granzyme b directed imaging and therapy | 20180213 |
AU-2018285831-A1 | Bicyclic heteroaromatic amide compounds for use in therapy | 20170614 |
CA-3067075-A1 | Bicyclic heteroaromatic amide compounds for use in therapy | 20170614 |
CN-111032653-A | Bicyclic heteroaromatic amide compounds for therapy | 20170614 |
EP-3638667-A1 | Bicyclic heteroaromatic amide compounds for use in therapy | 20170614 |
Complexity: | 205 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 192.02450067 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 192.02450067 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 65.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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