Pentafluorothiophenol

(Pentafluorophenyl)thiol
2,3,4,5,6-Pentafluorobenzenethiol
2,3,4,5,6-Pentafluorothiophenol
Benzenethiol, 2,3,4,5,6-pentafluoro-
Benzenethiol, pentafluoro-
Mercapto(pentafluoro)benzene
Pentafluorobenzenethiol
Pentafluorophenyl mercaptan
Perfluorothiophenol
PFBT

Property	Value
InChI2D key string chemrof:inchi2d_key_string	UVAMFBJPMUMURT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C6HF5S/c7-1-2(8)4(10)6(12)5(11)3(1)9/h12H
IUPAC name chemrof:IUPAC_name	Pentafluorothiophenol
Molecular formula chemrof:molecular_formula	C6HF5S
Molecular mass chemrof:molecular_mass	200.131
Monoisotopic mass chemrof:monoisotopic_mass	199.971912
SMILES string chemrof:smiles_string	Fc1c(F)c(F)c(S)c(F)c1F

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=771-62-0	enrich_references.pubchem_identifier_url
chem.echa.europa.eu	https://chem.echa.europa.eu/100.011.124	enrich_references.pubchem_identifier_url
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID10227887	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=88286	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/CM7UNQ95TJ	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J54.511B	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/13042	enrich_references.pubchem_compound
PubChem	https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=125898	enrich_references.pubchem_identifier_url
Wikidata	https://www.wikidata.org/wiki/Q25323844	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/Pentafluorothiophenol	enrich_references.pubchem_identifier_url

Flow	Context	Source	Unit	CFs
ef14d9ea-3117-4331-a933-82c946d9594b	Environmental → Air → Aircraft cruise height	EF 3.1	kg	2
6067a489-719f-478f-933e-48566e7c0296	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	2
194647ab-f1e1-452e-aee9-c09dd9509980	Environmental → Air → Indoor	EF 3.1	kg	2
1490157b-76b4-46bf-b15a-dcc7b732db59	Environmental → Air → Long-term	EF 3.1	kg	0
0a722b5f-398b-4a67-a641-9fa978e750a2	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	2
673e01be-5336-4a3f-8481-a288f0b88999	Environmental → Air → Unknown	EF 3.1	kg	2
c3de1430-3909-47a6-9821-70478bfa77e6	Environmental → Ground → Agricultural	EF 3.1	kg	2
554d28c2-b619-459e-9b81-0f582b060836	Environmental → Ground → Non-agricultural	EF 3.1	kg	2
bb141e36-92de-495c-8c29-4c52774272b8	Environmental → Ground → Unknown	EF 3.1	kg	2
f6646bca-0e39-4bae-acb1-5f985dd0b46e	Environmental → Water → Long-term	EF 3.1	kg	0
a5de98ab-1687-453d-9e36-09e43b2437ef	Environmental → Water → Ocean	EF 3.1	kg	2
17b33794-ce6c-4d43-971a-deaa78f9d005	Environmental → Water → Surface water	EF 3.1	kg	2
36e318a5-cb5a-4a67-b9ff-dcb3e5c81d90	Environmental → Water → Unknown	EF 3.1	kg	2

Everything that changed this substance (56 changes)

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Flow object JSON

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}

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Pentafluorothiophenol

Identity

Structure

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