5-Amino-2-methoxybenzenesulfonic acid - CAS 6470-17-3

Catalog:	BB032542
Product Name:	5-Amino-2-methoxybenzenesulfonic acid
CAS:	6470-17-3
Synonyms:	5-amino-2-methoxybenzenesulfonic acid

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Computed Properties

IUPAC Name:	5-amino-2-methoxybenzenesulfonic acid
Description:	5-Amino-2-methoxybenzenesulfonic acid (CAS# 6470-17-3) is a spin-labeledl lysine, used to measure electron paramagnetic resonance distance.
Molecular Weight:	203.22
Molecular Formula:	C7H9NO4S
Canonical SMILES:	COC1=C(C=C(C=C1)N)S(=O)(=O)O
InChI:	InChI=1S/C7H9NO4S/c1-12-6-3-2-5(8)4-7(6)13(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
InChI Key:	JXZGTFLJFKLVAX-UHFFFAOYSA-N
Density:	1.467 g/cm³
MDL:	MFCD00035760
LogP:	2.18610

Publication Number	Title	Priority Date
CN-112679981-A	High-temperature high-chlorine-resistance active red dye for cotton and preparation method thereof	20201221
WO-2021188880-A1	Benzenesulfonamide derivatives as trap1 modulators and uses thereof	20200320
JP-2021098331-A	Laminated body and rust prevention method	20191223
JP-6898006-B2	Laminated body and rust prevention method	20191223
WO-2021131366-A1	Multilayer body and rust prevention method	20191223

PMID	Publication Date	Title	Journal
21168968	20110227	Electrochemical degradation of aromatic amines on BDD electrodes	Journal of hazardous materials

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Related Functional Groups

Sulfur Compounds

[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[85-47-2]
1-Naphthalenesulfonic acid
[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[1778-09-2]
4'-(Methylthio)acetophenone

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GHS Hazard Statement:	H314 (92.68%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	258
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.02522894
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	203.02522894
Rotatable Bond Count:	2
Topological Polar Surface Area:	98 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.4