5-amino-2-methylbenzenesulfonic Acid

1-Amino-4-methylbenzene-3-sulfonic acid
2-Methyl-5-amino benzene sulfonic acid
3-Amino-6-methylbenzenesulfonic acid
3-Sulfo-4-methylaniline
4-Amino-2-sulfotoluene
4-Aminotoluene-2-sulfonic acid
4-Methyl-3-sulfoaniline
4-Methylaniline-3-sulfonic acid
4-Toluidine-3-sulfonic acid
5-Amino-2-methyl-1-sulfobenzene
5-Amino-o-toluenesulfonic acid
Benzenesulfonic acid, 5-amino-2-methyl-
o-Toluenesulfonic acid, 5-amino-
p-Toluidine-o-sulfonic acid

Property	Value
InChI2D key string chemrof:inchi2d_key_string	BRKFTWHPLMMNHF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C7H9NO3S/c1-5-2-3-6(8)4-7(5)12(9,10)11/h2-4H,8H2,1H3,(H,9,10,11)
IUPAC name chemrof:IUPAC_name	5-amino-2-methylbenzenesulfonic Acid
Molecular formula chemrof:molecular_formula	C7H9NO3S
Molecular mass chemrof:molecular_mass	187.22
Monoisotopic mass chemrof:monoisotopic_mass	187.030314
SMILES string chemrof:smiles_string	Cc1ccc(N)cc1S(=O)(=O)O

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=118-88-7	enrich_references.consensus_cas_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.894	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0044523	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=22958	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5586	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185619	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/G90628U043	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J79.451A	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/67054	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q27278950	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
b681f3df-fb2f-4b14-ac47-f46aa07c91de	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
b9eeed35-0f0c-4006-b41f-c0873cef7e9f	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
7d55bfbc-8d0c-4f5d-967d-8c6133bbaf43	Environmental → Air → Indoor	EF 3.1	kg	2
69bddfb2-9815-4cc4-90ae-491944c635c6	Environmental → Air → Long-term	EF 3.1	kg	0
db03dc36-1925-4e2d-9e29-ee69f44b7af3	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
c9bd4070-79b1-45ec-828c-39fb820e69e6	Environmental → Air → Unknown	EF 3.1	kg	2
8fdd3885-e42a-4a95-bf73-5e64a6f4ef18	Environmental → Ground → Agricultural	EF 3.1	kg	2
ff22fadf-7c10-4da4-a0d2-2d7bfec3403c	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
fd61a21e-0db7-4a99-891c-8f1feb97ee7f	Environmental → Ground → Unknown	EF 3.1	kg	2
ca5bf1d5-a5e4-4d89-9194-d0b0e33bd0c0	Environmental → Water → Long-term	EF 3.1	kg	0
fbe3a49e-d0d0-45a2-aff5-4b767e7c328e	Environmental → Water → Ocean	EF 3.1	kg	2
586b6fa0-4f1f-4fb6-a894-fc07c8b48a6e	Environmental → Water → Surface water	EF 3.1	kg	2
238c8407-6e7b-41fd-a083-8d189f134219	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
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5-amino-2-methylbenzenesulfonic Acid

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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