1,3-Dithiolane-2-thione

HCID 13196

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Basic information

CAS: 822-38-8
Standard SMILES: S=C1SCCS1
InChIKey: XCWPBWWTGHQKDR-UHFFFAOYSA-N
Molecular formula: C3H4S3
Average molar mass: 136.3 g/mol
Monoisotopic mass: 135.94751313

Names & identifiers

Preferred name: 1,3-Dithiolane-2-thione
IUPAC: 1,3-dithiolane-2-thione
English name: ETHYLENE TRITHIOCARBONATE
Molecular formula: C3H4S3
Molecular weight: 136.26

Names & synonyms

Ethylene trithiocarbonate1,3-Dithiolane-2-thioneCylic ethylene trithiocarbonateNSC 6746EINECS 212-498-9BRN 01063301,3-Dithiolan-2-thioneDTXSID9061172XCWPBWWTGHQKDR-UHFFFAOYSA-1,3-Dithiacyclopentane-2-thione5-19-04-00014 (Beilstein Handbook Reference)RefChem:72841

Show more names

ETHYLENE TRICHIOCARBONATEEthyleneTrithiocarbonate>Ethylene trithiocarbonate,97%Ethylene trithiocarbonate 97%cyclicethylenetrithiocarbonate

DTXCID9048279212-498-9InChI=1/C3H4S3/c4-3-5-1-2-6-3/h1-2H2XCWPBWWTGHQKDR-UHFFFAOYSA-N822-38-8ETHYLENETRITHIOCARBONATECyclic ethylene trithiocarbonateTrithiocarbonic acid, cyclic ethylene ester

Database identifiers

CAS: 822-38-8
PubChem CID: 13196
DTXSID: DTXSID9061172
UNII: QE427K8FTH
EC Number: 212-498-9
Nikkaji: J550I

Properties

Computed structural properties

XLogP: 2
Topological polar surface area: 82.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 6
Formal charge: 0
Complexity: 60.4

Experimental & physicochemical properties

SpringerMaterials PropertiesBoiling point

Physicochemical properties

Melting point: 34 · 34-36 °C (lit.)
Boiling point: 307 °C · 307 °C (lit.)
Density: 1.319 · 1.319 (estimate)
refractive index: 1.732 · 1.7320 (estimate)
Flash point: 326 °F · 326 °F
storage temp.: 2 · 2-8°C
form: solid
color: Light yellow to Yellow to Orange
BRN: 106330 · 106330
InChI: 1S/C3H4S3/c4-3-5-1-2-6-3/h1-2H2
InChIKey: XCWPBWWTGHQKDR-UHFFFAOYSA-N
SMILES: S=C1SCCS1
CAS DataBase Reference: 822 · 822-38-8
EWG's Food Scores: 1 · 1
FDA UNII: 427 K8FTH · QE427K8FTH
EPA Substance Registry System: 1 · 1,3-Dithiolane-2-thione (822-38-8)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 280 · P280-P305+P351+P338
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Safety Statements: 23 · 23-24/25
RIDADR: 3335 · UN 3335
WGK Germany: 3 · 3
RTECS: 2720000 · FG2720000
F: 9 · 9-13-23
TSCA: TSCA listed
HS Code: 29349990 · 29349990
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety data

F: 9-13-23
PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
tsca: TSCA listed
rtecs: FG2720000
ridadr: UN 3335
hs_code: 29349990
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 23-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H302
Precautionary statements: P280-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,3-Dithiolane-2-thione: INACTIVE

Upstream & downstream products

Upstream raw materials

Downstream products

ETHYLENE SULFIDE 1,3-DITHIOLE-2-THIONE-4,5-DICARBOXYLIC ACID DIMETHYL ESTER

Suppliers63 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

Hangzhou Collab Medicine Co.,Ltd.+86-15936229464 · [email protected]

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

Related reactions

1 records

New reaction record

HRID 15244As reactantuspto-grants-2010_06

Compound notes

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