CAS 3570-55-6 Bis(2-mercaptoethyl) sulfide (HCID 77117)

Names & identifiers

Preferred name: Bis(2-mercaptoethyl) sulfide
IUPAC: 2-(2-sulfanylethylsulfanyl)ethanethiol
English name: Bis(2-mercaptoethyl) sulfide
Molecular formula: C4H10S3
Molecular weight: 154.32

Names & synonyms

Bis(2-mercaptoethyl) sulfide3570-55-62,2'-Thiodiethanethiol2-Mercaptoethyl sulfideEthanethiol, 2,2'-thiobis-3-Thia-1,5-pentanedithiolBis(mercaptoethyl) sulfide2,2'-Dimercaptodiethyl sulfideEthanethiol, 2,2'-thiodi-1,5-dimercapto-3-thiapentane1-Mercapto-2-(mercaptoethylthio)ethane2,2'-Sulfanediyldiethanethiol

Show more names

CHLUMICRYI DMES2,2'-THIODIETHANTHIOL2,2'-THIODIETHANETHLOL2,2’-thiobis-ethanethio2-mercaptoethyl sulphide

OEU4AZC07SNSC 47669027-67-2DTXSID4044660EINECS 222-671-0Bis(2-sulfanylethyl) sulfide1,4,7-TRITHIAHEPTANEAI3-62012

Database identifiers

CAS: 3570-55-6、9027-67-2
PubChem CID: 77117
DTXSID: DTXSID4044660
ChEMBL: CHEMBL3182274
UNII: OEU4AZC07S
EC Number: 222-671-0、232-819-6
Nikkaji: J93.715K

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 27.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 7
Formal charge: 0
Complexity: 26.1

Experimental & physicochemical properties

Physical DescriptionLiquid

Physicochemical properties

Melting point: -11 °C · -11°C
Boiling point: 135 · 135-136 °C10 mm Hg(lit.)
Density: 1.183 g/mL · 1.183 g/mL at 25 °C(lit.)
vapor pressure: 0.61 Pa · 0.61Pa at 20℃
refractive index: 20 · n20/D 1.5961(lit.)
Flash point: 195 °F · 195 °F
solubility: Difficult to mix.
form: Liquid
pka: 9.47 · 9.47±0.10(Predicted)
color: Clear colorless
Viscosity: 3.94 mm2/s · 3.94mm2/s
Water Solubility: 620 mg/L · 620mg/L at 20℃
BRN: 1445994 · 1445994
InChI: 1S/C4H10S3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChIKey: KSJBMDCFYZKAFH-UHFFFAOYSA-N
SMILES: SCCSCCS
LogP: 2.52 at · 2.52 at 20℃
CAS DataBase Reference: 3570 · 3570-55-6(CAS DataBase Reference)
FDA UNII: 4 AZC07S · OEU4AZC07S
NIST Chemistry Reference: 2 · Ethanethiol, 2,2'-thiobis-(3570-55-6)
EPA Substance Registry System: 2 · Ethanethiol, 2,2'-thiobis- (3570-55-6)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227-H315-H319-H332-H335
Precautionary statements: 210 e-P261-P280a-P305+P351+P338-P405-P501a · P210e-P261-P280a-P305+P351+P338-P405-P501a
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
Risk Statements: 36 · 36/37/38
Safety Statements: 23 · 23-24/25
RIDADR: 2810 · UN 2810 6.1/PG 3
WGK Germany: 3 · 3
F: 10 · 10-13-23
TSCA: TSCA listed
HS Code: 2930.9 · 2930.90.9250
Storage Class: 10 · 10 - Combustible liquids
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 1% (1 of 100) of reports.

Danger

H301 (30%): Toxic if swallowed [Danger Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 100 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

Hazard information

Regulatory Information · 3 items

Ethanethiol, 2,2'-thiobis- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Ethanethiol, 2,2'-thiobis- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

XU - indicates a substance exempt from reporting under the Chemical Data Reporting Rule, (40 CFR 711).

Status: Cease Manufacture Update: 17-02-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/24589

Hazard Classes and Categories · 2 items

Acute Tox. 3 (30%)

Resp. Sens. 1 (100%)

Safety data

F: 10-13-23
PPE: Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
wgk: 3
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 3
hs_code: 2930.90.9250
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 23-24/25
Storage Class: 10 - Combustible liquids
Hazard statements: H227-H315-H319-H332-H335
REACH Registrations: Inactive
Precautionary statements: P210e-P261-P280a-P305+P351+P338-P405-P501a

Chemistry & industry

Uses & manufacturing

U.S. Production2023: <50,000 lb

Industry UsesMonomers

General Manufacturing Information · 3 items

Adhesive Manufacturing

Ethanethiol, 2,2'-thiobis-: ACTIVE

Terminal deoxyribonucleotidyltransferase: ACTIVE

Applications

Uses2,2-Thiodiethanol is used in the synthesis of novel luminescent polynuclear gold(I) phosphine complexes 2,2'-Thiodiethanethiol is used for extraction photometric determination of Ni, gives color reaction with metals.