Brightway Flows 1.0
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Carbamic Acid, N-[(butylthio)thioxomethyl]-, Butyl Ester

fo-612431a8fd797a4f

Identity

Type
Neutral molecule
CAS
1001320-38-2
EC
691-061-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Carbamic Acid, N-[(butylthio)thioxomethyl]-, Butyl Ester

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IMEBVVBPRQAYFY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H19NO2S2/c1-3-5-7-13-9(12)11-10(14)15-8-6-4-2/h3-8H2,1-2H3,(H,11,12,14)
IUPAC name chemrof:IUPAC_name Carbamic Acid, N-[(butylthio)thioxomethyl]-, Butyl Ester
Molecular formula chemrof:molecular_formula C10H19NO2S2
Molecular mass chemrof:molecular_mass 249.401
Monoisotopic mass chemrof:monoisotopic_mass 249.085721
SMILES string chemrof:smiles_string CCCCOC(=O)NC(=S)SCCCC

Known URLs

5

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=1001320-38-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.218.531 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50893601 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87668466 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q81987702 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9c9f304a-462e-4798-90b0-a5aab9fa12b9 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
c50b09e1-ac13-4326-9c88-c14d1546efaf Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7c866565-5eea-4be3-9118-36140aeb76c5 Environmental → Air → Indoor EF 3.1 kg 2
8f063f02-8d06-4395-b289-ba22ce803151 Environmental → Air → Long-term EF 3.1 kg 0
4aaf70b9-d7fc-478a-bc3a-aeaacf440be0 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ea51a5a5-420e-453a-b59d-1284f6bec08e Environmental → Air → Unknown EF 3.1 kg 2
3021430a-0261-4662-bc59-3f70dc5860c6 Environmental → Ground → Agricultural EF 3.1 kg 2
4afb8f4a-9f8b-4696-8868-bdf64258f8d7 Environmental → Ground → Non-agricultural EF 3.1 kg 2
91e9562e-dc15-4274-854b-234149aa2e85 Environmental → Ground → Unknown EF 3.1 kg 2
fc02acd2-4070-4f17-aaaf-f096602713e5 Environmental → Water → Long-term EF 3.1 kg 0
4957b282-6ef2-4f3b-b425-272cf1c4b3fa Environmental → Water → Ocean EF 3.1 kg 2
b93510fb-2481-4a50-a539-55f6c8422441 Environmental → Water → Surface water EF 3.1 kg 2
b7f589b5-64ac-4e49-92e0-761125e8b89e Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "@type": [
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  ]
}

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