Consensus flow list

N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine

fo-92fc9d368f51ef38

Identity

Type
Neutral molecule
CAS
95-31-8
EC
202-409-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine

Alternative labels

43

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IUJLOAKJZQBENM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H14N2S2/c1-11(2,3)13-15-10-12-8-6-4-5-7-9(8)14-10/h4-7,13H,1-3H3
IUPAC name chemrof:IUPAC_name N-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropan-2-amine
Molecular formula chemrof:molecular_formula C11H14N2S2
Molecular mass chemrof:molecular_mass 238.381
Monoisotopic mass chemrof:monoisotopic_mass 238.05984
SMILES string chemrof:smiles_string CC(C)(C)NSc1nc2ccccc2s1

Known URLs

10

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=95-31-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.191 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7026572 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=84176 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182037 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/W468IFJ99C enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=2934.20.05.00 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J21.264D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7230 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27292283 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5324d0cc-7a91-44f9-95ef-69560d37f46e Environmental → Air → Aircraft cruise height EF 3.1 kg 4
a5cedf1e-aa56-4628-b380-4c0f1f32242f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a92db700-3760-408b-a1af-34d8da26d841 Environmental → Air → Indoor EF 3.1 kg 4
86629244-4961-446a-a0c1-326c3e9f023b Environmental → Air → Long-term EF 3.1 kg 0
96e3e231-4b26-4b27-b532-bdf42af1605d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
aa313ffc-6893-4bdf-8bea-51535f1fb34f Environmental → Air → Unknown EF 3.1 kg 4
9ea55ec6-a206-4a66-850c-ed681fd59c5d Environmental → Ground → Agricultural EF 3.1 kg 4
5cc612e6-df32-47a1-b404-fd62168e80d8 Environmental → Ground → Non-agricultural EF 3.1 kg 4
9b458b85-f600-4af7-956d-013796a47d52 Environmental → Ground → Unknown EF 3.1 kg 4
3ffb48f2-3e6f-45b8-b7f5-31240a09c259 Environmental → Water → Long-term EF 3.1 kg 0
1ae2c164-1fc0-4382-b1d9-f8245be2369a Environmental → Water → Ocean EF 3.1 kg 4
11617c83-50b5-409f-a950-86f5c22b465a Environmental → Water → Surface water EF 3.1 kg 4
81bdce26-8b1d-4600-bc8c-2b5751692373 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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