Benzo[b]thiophene-2-acetic Acid - CAS 75894-07-4
Catalog: |
BB035431 |
Product Name: |
Benzo[b]thiophene-2-acetic Acid |
CAS: |
75894-07-4 |
Synonyms: |
2-(1-benzothiophen-2-yl)acetic acid; 2-(1-benzothiophen-2-yl)acetic acid |
IUPAC Name: | 2-(1-benzothiophen-2-yl)acetic acid |
Description: | Benzo[b]thiophene-2-acetic Acid (CAS# 75894-07-4) is a useful research chemical. |
Molecular Weight: | 192.23 |
Molecular Formula: | C10H8O2S |
Canonical SMILES: | C1=CC=C2C(=C1)C=C(S2)CC(=O)O |
InChI: | InChI=1S/C10H8O2S/c11-10(12)6-8-5-7-3-1-2-4-9(7)13-8/h1-5H,6H2,(H,11,12) |
InChI Key: | SAAWNQLNUJBOLW-UHFFFAOYSA-N |
MDL: | MFCD09927470 |
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 |
WO-2019160916-A1 | Granzyme b directed imaging and therapy | 20180213 |
EP-3752145-A1 | Granzyme b directed imaging and therapy | 20180213 |
KR-20200120712-A | Granzyme B-induced imaging and treatment | 20180213 |
US-2020369673-A1 | Granzyme b directed imaging and therapy | 20180213 |
EP-3601263-A1 | Novel pyridazinone herbicides | 20170328 |
PMID | Publication Date | Title | Journal |
21540542 | 20110501 | 2-(Benzoylsulfanyl)acetic acid and 2,5-dioxopyrrolidin-1-yl 2-(benzoylsulfanyl)acetate by powder X-ray diffraction studies | Acta crystallographica. Section C, Crystal structure communications |
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 |
Online Inquiry
Customer Support
Customer Centered
Related Functional Groups
Carbonyl Compounds
Customers Also Viewed
INDUSTRY LEADERS TRUST OUR PRODUCTS