기본 정보
- 표준 SMILES
CSC(=O)SC- InChIKey
IUXMJLLWUTWQFX-UHFFFAOYSA-N- 분자식
- C3H6OS2
- 평균 분자량
- 122.21 g/mol
- 단동위원소 질량
- 121.98600681
이름 및 식별자
- 우선 이름
- S,S-dimethyl carbonodithioate
- IUPAC
- bis(methylsulfanyl)methanone
- 현지명
- S,S-디메틸 카보노디시오에이트
- 영어명
- S,S'-Dimethyl dithiocarbonate
- 분자식
- C3H6OS2
- 분자량
- 122.21
이름 및 동의어
S,S-Dimethyl dithiocarbonateS,S-dimethyl carbonodithioateRefChem:884082617-931-9868-84-8S,S'-Dimethyl dithiocarbonatebis(methylsulfanyl)methanones,s-dimethyldithiocarbonateCarbonodithioic acid, S,S-dimethyl esterMFCD00144163Dithiocarbonic Acid S,S'-Dimethyl EsterCHEMBL4796378
이름 더 보기
S,S-디메틸카보노디시오에이트Bis(methylthio) ketoneDIMETHYLDITHIO CARBONATEbis(methylthio)methanoneDimethyl dithiocarboxylateS,S'-Dimethyl dithiocarboteS S-DIMETHYL DITHIOCARBONATEDimethyldithiocarboxylicacid
NSC-227849Dithiocarbonicaciddiethylestermethylthio ketoneCarbonodithioic Acid S,S-Dimethyl Ester; Dithiocarbonic Acid S,S-Dimethyl Ester; Dithiocarbonic Acid S,S'-Dimethyl Ester; NSC 227849starbld0016678Carbonic acid, dithio-, S,S-dimethyl esterEC 617-931-93VA2L63KTH
데이터베이스 식별자
- CAS
868-84-8- PubChem CID
- 313474
- DTXSID
DTXSID20310491- ChEMBL
CHEMBL4796378- UNII
- 3VA2L63KTH
- EC Number
- 617-931-9
- Nikkaji
- J141.801G
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 67.7 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 6
- 형식 전하
- 0
- 복잡도
- 46.8
실험 및 물리화학적 성질
SpringerMaterials PropertiesSchoenflies notation
물리화학적 성질
- 녹는점
- 133 · 133-135 °C
- 끓는 점
- 169 °C · 169°C
- 밀도
- 1.1705 g/mL · 1.1705 g/mL at 25 °C
- 굴절률
- 20 · n20/D 1.5485
- 인화점
- 144 °F · 144 °F
- 저장 조건
- 2 · 2-8°C, stored under nitrogen
- 물리적 상태
- 투명한 액체
- 색상
- 무색 내지 거의 무색
- InChI
- 1S/C3H6OS2/c1-5-3(4)6-2/h1-2H3
- InChIKey
- IUXMJLLWUTWQFX-UHFFFAOYSA-N
- SMILES
- CSC(=O)SC
- NIST
- Carbonodithioic acid, s,s-dimethyl ester(868-84-8)
화학적 성질
White or almost white crystalline
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 41 reports by companies from 2 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory InformationStatus: Active Update: 10-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/33713
Hazard Classes and CategoriesAcute Tox. 4 (97.6%)
안전 데이터
- wgk
- 1
- ridadr
- UN 3334
- HS 번호
- 2930.90.9250
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 26-36/37/39
- Hazard Classifications
- Acute Tox. 4 Oral
- 스토리지 클래스
- 10 - Combustible liquids
화학 및 산업
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상류 원료
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