1,1-Propanedithiol

HCID 6428546CAS 88497-17-0

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Grundinformationen

Standard-SMILES: CCC(S)S
InChIKey: NCNISYUOWMIOPI-UHFFFAOYSA-N
Summenformel: C3H8S2
Durchschnittliche Molmasse: 108,23 g/mol
Monoisotopische Masse: 108,0067426

Namen und Bezeichner

Bevorzugter Name: 1,1-Propanedithiol
IUPAC: propane-1,1-dithiol

Namen und Synonyme

1,1-propanedithiol1,1-dimercaptopropaneWXB7P88MHJFema No. 4670UNII-WXB7P88MHJ88497-17-0DTXSID7010158231,1-Propane dithiolRefChem:71140DTXCID30374680801-683-5NCNISYUOWMIOPI-UHFFFAOYSA-N

Weitere Namen anzeigen

Propanedithiolpropane-1,1-dithiol1,a1-aPropanedithiol161994-06-5SCHEMBL302698SCHEMBL3866609SCHEMBL4223006SCHEMBL5484702

Datenbank-Bezeichner

CAS: 88497-17-0
PubChem CID: 6428546
DTXSID: DTXSID701015823
UNII: WXB7P88MHJ
EC Number: 801-683-5
Nikkaji: J1.405.824I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 2 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 5
Formalladung: 0
Komplexität: 18

Experimentelle und physikochemische Eigenschaften

Density1.014-1.016

Solubility · 2 Einträge

Very slightly soluble in water

Soluble (in ethanol)

Boiling Point137-138 °C

Refractive Index1.490-1.501

Physical DescriptionClear colourless to light yellow liquid; Savoury sulfurous cooked onion aroma

Kovats Retention Index839

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.