Methyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate

2-Amino-3-Cyano-4-Methyl-5-Carbomethoxy Thiophene
2-Amino-3-cyano-4-methylthiophene-5-carboxylic acid methyl ester
2-Thiophenecarboxylic acid, 5-amino-4-cyano-3-methyl-, methyl ester
Methyl 5-amino-4-cyano-3-methyl-2-thiophenecarboxylate

Property	Value
InChI2D key string chemrof:inchi2d_key_string	PDDIXJQTRLVRCG-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C8H8N2O2S/c1-4-5(3-9)7(10)13-6(4)8(11)12-2/h10H2,1-2H3
IUPAC name chemrof:IUPAC_name	Methyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate
Molecular formula chemrof:molecular_formula	C8H8N2O2S
Molecular mass chemrof:molecular_mass	196.231
Monoisotopic mass chemrof:monoisotopic_mass	196.030648
SMILES string chemrof:smiles_string	COC(=O)c1sc(N)c(C#N)c1C

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=61320-65-8	enrich_references.pubchem_identifier_url
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:189395	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.148.884	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID90344440	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL4554880	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/596903	enrich_references.pubchem_compound
wikidata.org	https://www.wikidata.org/wiki/Q82116328	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
0475d8ca-d77a-4f28-99e3-cff86b8893b4	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
5f44bc71-7ce3-4f97-a46c-fb1c51edc791	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
64ce55f6-e471-4496-89c5-3e229ad058d1	Environmental → Air → Indoor	EF 3.1	kg	2
bf294dcc-39ed-4f6e-8c5d-8f4eecbfe904	Environmental → Air → Long-term	EF 3.1	kg	0
d3574e5e-5239-4fd2-addc-b6ce014f502d	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
b5a6ccde-3e42-4ea1-85be-167a2d94a7fb	Environmental → Air → Unknown	EF 3.1	kg	2
332cdd10-15cb-42d0-9e13-b0889c9f9a7d	Environmental → Ground → Agricultural	EF 3.1	kg	2
3e309358-3305-409f-81a3-1854333af2dc	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
c35c7281-73a4-495d-a5fc-6a4a3f039ebe	Environmental → Ground → Unknown	EF 3.1	kg	2
ee7b6a28-5c46-400b-8ea7-f965d80e67df	Environmental → Water → Long-term	EF 3.1	kg	0
70ad1f3d-c164-4317-829e-21cf1643901f	Environmental → Water → Ocean	EF 3.1	kg	2
d9415562-b14b-446a-8841-58b6af951ab8	Environmental → Water → Surface water	EF 3.1	kg	2
6fcc9840-deb4-4773-97d8-0f0b4c7a2c0c	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (54 changes)

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Flow object JSON

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Methyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate

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Structure

Alternative labels

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