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HCID 76708Erstellt: 31. Oktober 2026

Essigthiosureanhydrid

Diacetyl sulphide · Acetic thioanhydride · (CH3CO)2S · ACETYL SULFIDE · DIACETYL SULFIDE · AcetylSulfide>S-acetyl ethanethioate · Racecadotril Impurity S · S-ethanoyl ethanethioate

https://huagongshe.com/de/chemical/76708

Molekülstruktur von Essigthiosureanhydrid

Identifikatoren & physikalische Daten

CAS No.	3232-39-1
Summenformel	C4H6O2S
Durchschnittliche Molmasse	118,16 g/mol
Monoisotopische Masse	118,0088506 g/mol
SMILES	CC(=O)SC(C)=O
InChIKey	DPCQJLQPDJPRCM-UHFFFAOYSA-N
PubChem CID	76708
EC No.	221-774-8
DTXSID	DTXSID80186058
Lokaler Name	Essigthiosureanhydrid

Chemische & physikalische Eigenschaften

XLogP	0,4
Polarare Oberfläche (TPSA)	59,4
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	2
Schwere Atome	7
Formalladung	0
Komplexität	85,9
SpringerMaterials Properties	Schoenflies notation
Schmelzpunkt	140-142 °C(Solv: methanol (67-56-1))
Siedepunkt	120 °C
Dichte	1,13 g/cm3
Brechungsindex	1.4810-1.4840
Flammpunkt	26°C
Lagerbedingungen	2-8°C
Aggregatzustand	clear liquid
Farbe	Colorless to Light yellow
CAS Datenbank	3232-39-1

Sicherheit & Vorschriften

GHS-Einstufung	WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Regulatorische Informationen	Ethanethioic acid, anhydrosulfide: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and Categories	Flam. Liq. 3 (100%)
UN-Transportnummer	1993
Zollcode	2930909899
R-Sätze (R)	10-36/37/38
Gefahrensymbole	Xi
Sicherheitshinweise (S)	16-26-36-46
Gefahrenklasse	3.2
Verpackungsgruppe	III

CAS No.

3232-39-1

Summenformel

C4H6O2S

Durchschnittliche Molmasse

118,16 g/mol

Monoisotopische Masse

118,0088506 g/mol

SMILES

CC(=O)SC(C)=O

InChIKey

DPCQJLQPDJPRCM-UHFFFAOYSA-N

PubChem CID

76708

EC No.

221-774-8

DTXSID

DTXSID80186058

Lokaler Name

Essigthiosureanhydrid

Chemische & physikalische Eigenschaften

XLogP

0,4

Polarare Oberfläche (TPSA)

59,4

H-Brücken-Donoren

H-Brücken-Akzeptoren

Frei drehbare Bindungen

Schwere Atome

Formalladung

Komplexität

85,9

SpringerMaterials Properties

Schoenflies notation

Schmelzpunkt

140-142 °C(Solv: methanol (67-56-1))

Siedepunkt

120 °C

Dichte

1,13 g/cm3

Brechungsindex

1.4810-1.4840

Flammpunkt

26°C

Lagerbedingungen

2-8°C

Aggregatzustand

clear liquid

Farbe

Colorless to Light yellow

CAS Datenbank

3232-39-1

Sicherheit & Vorschriften

GHS-Einstufung

WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]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 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Regulatorische Informationen

Ethanethioic acid, anhydrosulfide: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories

Flam. Liq. 3 (100%)

UN-Transportnummer

1993

Zollcode

2930909899

R-Sätze (R)

10-36/37/38

Gefahrensymbole

Sicherheitshinweise (S)

16-26-36-46

Gefahrenklasse

3.2

Verpackungsgruppe

III