3-(Carboxymethyl)benzothiazolium bromide - CAS 74385-09-4
Catalog: |
BB035076 |
Product Name: |
3-(Carboxymethyl)benzothiazolium bromide |
CAS: |
74385-09-4 |
Synonyms: |
2-(1,3-benzothiazol-3-ium-3-yl)acetic acid;bromide |
IUPAC Name: | 2-(1,3-benzothiazol-3-ium-3-yl)acetic acid;bromide |
Description: | 3-(Carboxymethyl)benzothiazolium bromide (CAS# 74385-09-4) is a useful research chemical. |
Molecular Weight: | 274.13 |
Molecular Formula: | C9H8BrNO2S |
Canonical SMILES: | C1=CC=C2C(=C1)[N+](=CS2)CC(=O)O.[Br-] |
InChI: | InChI=1S/C9H7NO2S.BrH/c11-9(12)5-10-6-13-8-4-2-1-3-7(8)10;/h1-4,6H,5H2;1H |
InChI Key: | UEINBJHBQWSAHA-UHFFFAOYSA-N |
MDL: | MFCD00134360 |
LogP: | -1.72260 |
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 |
EP-2778262-A1 | Copper plating solutions and method of making and using such solutions | 20130315 |
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Complexity: | 210 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 272.94591 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 272.94591 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 69.4 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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Oxazole/Thiazole
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