Bis(2-mercaptoethyl) sulfide (HCID 77117)

이름 및 식별자

우선 이름: Bis(2-mercaptoethyl) sulfide
IUPAC: 2-(2-sulfanylethylsulfanyl)ethanethiol
현지명: 비스-(2-메르캅토에틸)설파이드
영어명: Bis(2-mercaptoethyl) sulfide
분자식: C4H10S3
분자량: 154.32

이름 및 동의어

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

이름 더 보기

2-머캅토에틸설파이드1,5-디메르캅토3-티아펜탄2,2""-티오디에탄티올비스-(2-메르캅토에틸)설파이드2,2'-티오디에탄티올2-머캅토에틸 설파이드1,4,7-트라이싸이아헵테인1,5-다이머캅토-3-싸이아펜테인1-머캅토-2-(머캅토에틸싸이오)에테인1-메르캅토-2-(메르캅토에틸티오)에탄2,2'-다이머캅토다이에틸 설파이드2,2'-싸이오다이에테인싸이올2-메르캅토에틸황화물비스(2-머캅토에틸) 설파이드비스(2-설판일에틸) 설파이드비스(2-메르캅토에틸)황화물CHLUMICRYI DMES2,2'-THIODIETHANTHIOL2,2'-THIODIETHANETHLOL2,2’-thiobis-ethanethio2-mercaptoethyl sulphide

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

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 1.5
극성 표면적: 27.3 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 3
회전 가능 결합 수: 4
무거운 원자 수: 7
형식 전하: 0
복잡도: 26.1

실험 및 물리화학적 성질

Physical DescriptionLiquid

물리화학적 성질

녹는점: -11 °C · -11°C
끓는 점: 135 · 135-136 °C10 mm Hg(lit.)
밀도: 1.183 g/mL · 1.183 g/mL at 25 °C(lit.)
증기압: 0.61 Pa · 0.61Pa at 20℃
굴절률: 20 · n20/D 1.5961(lit.)
인화점: 195 °F · 195 °F
용해도: 혼합하기가 어렵습니다.
물리적 상태: 액체
산도 계수 (pKa): 9.47 · 9.47±0.10(Predicted)
색상: 무색의
수용성: 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℃
NIST: 2 · Ethanethiol, 2,2'-thiobis-(3570-55-6)
EPA: 2 · Ethanethiol, 2,2'-thiobis- (3570-55-6)

안전 및 규제

GHS 분류

GHS Classification · 6건

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

유해성 정보

Regulatory Information · 3건

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 · 2건

Acute Tox. 3 (30%)

Resp. Sens. 1 (100%)

안전 데이터

wgk: 3
tsca: TSCA listed
ridadr: UN 2810 6.1/PG 3
HS 번호: 2930.90.9250
risk_code: 36/37/38
safety_code: 23-24/25
기존화학 물질: KE-05-1278
F 고인화성물질: 10-13-23
스토리지 클래스: 10 - Combustible liquids
함량 및 규제정보: 물질구분: 유독물질; 혼합물(제품)함량정보: 2,2'-티오디에탄티올 및 이를 1% 이상 함유한 혼합물
유해화학물질 필터링: 2002-1-526

화학 및 산업

용도 및 제조

U.S. Production2023: <50,000 lb

Industry UsesMonomers

General Manufacturing Information · 3건

Adhesive Manufacturing

Ethanethiol, 2,2'-thiobis-: ACTIVE

Terminal deoxyribonucleotidyltransferase: ACTIVE

응용 분야

용도2,2-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.