Dodecane-1-thiol

1-Dodecanethiol
1-Dodecyl mercaptan
1-Dodecylthiol
1-Mercaptododecane
Dodecyl mercaptan
Lauryl mercaptan
n-Dodecanethiol
n-Dodecyl mercaptan
n-Dodecyl thiolate
n-Dodecylthiol
n-Lauryl mercaptan
Thiokalcol 20

Property	Value
InChI2D key string chemrof:inchi2d_key_string	WNAHIZMDSQCWRP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C12H26S/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3
IUPAC name chemrof:IUPAC_name	Dodecane-1-thiol
Molecular formula chemrof:molecular_formula	C12H26S
Molecular mass chemrof:molecular_mass	202.407
Monoisotopic mass chemrof:monoisotopic_mass	202.175522
SMILES string chemrof:smiles_string	CCCCCCCCCCCCS

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=112-55-0	enrich_references.consensus_cas_link
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=1322-36-7	enrich_references.pubchem_identifier_url
cdc.gov	https://www.cdc.gov/niosh-rtecs/JR302438.html	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.003.622	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.013.944	enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org	https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0042	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID6025220	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=11884	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=229570	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=814	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3185403	enrich_references.pubchem_identifier_url
femaflavor.org	https://www.femaflavor.org/flavor-library/dodecanethiol	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S8ZJB6X253	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0243867	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J22.130I	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/8195	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#1228	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/erg/#3334	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018220	enrich_references.pubchem_identifier_url
wikidata.org	https://www.wikidata.org/wiki/Q161619	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
93836df0-4ffe-4544-96d4-d42e587e364f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
936a9022-eb42-44a1-9495-a10282ca59a9	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
56664ba4-867d-4fa6-b6da-a7b2527d1039	Environmental → Air → Indoor	EF 3.1	kg	4
6b127e7d-f7a6-48c7-b75b-351dfd96f9e9	Environmental → Air → Long-term	EF 3.1	kg	0
dde01113-a290-4db9-b159-461e644ebdb3	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
506680aa-115d-4c3a-927f-ce7c9a1426f7	Environmental → Air → Unknown	EF 3.1	kg	4
6246592c-55a4-4159-9404-21eec4155c89	Environmental → Ground → Agricultural	EF 3.1	kg	4
25f5936d-76fc-4761-a946-d5a6ebac734c	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
55e68d62-325b-4ea4-9772-e0a46cd1dd02	Environmental → Ground → Unknown	EF 3.1	kg	4
1b55d564-d9c2-4c4a-a35a-ff3ef2d7d965	Environmental → Water → Long-term	EF 3.1	kg	0
7ee84f03-26bf-4126-8770-d5cbac4e5ee6	Environmental → Water → Ocean	EF 3.1	kg	4
f4907ba5-efce-4975-b07d-daa9a8a461d9	Environmental → Water → Surface water	EF 3.1	kg	4
c5ae1d0e-b622-47cf-9f8f-12f7fd38c201	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (55 changes)

Open the changes page

Flow object JSON

{
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Dodecane-1-thiol

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

Full record

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