3D Mol Similar

1,3-디티올-2-티온

: IUPAC이름：1,3-dithiole-2-thione; CAS 레지스트리 번호: 930-35-8; 분자 무게：134.24

견적을 보내다

1. 이름 및 식별자

: 1.1 제품명; 1,3-디티올-2-티온; 1.2 동의어; DithioleneVinylene trithiocarbonate 98%VINYLENE TRITHIOCARBONATE1,3-DITHIOLE-2-THIONE1,3-dithia-2-thioxo-cyclopent-4-ene1,3-Dithiol-2-thione1,3-dithiolethioneisotrithione

1.3 CAS 레지스트리 번호: 930-35-8

1.4 CID: 70254

1.5 EINECS 번호: 213-215-1

1.6 분자식: C3H2S3 (isomer)

1.7 Inchi: InChI=1S/C3H2S3/c4-3-5-1-2-6-3/h1-2H

1.8 InchiKey: WYKJWNVWJOKVQP-UHFFFAOYSA-N

1.9 교회법에 의거 한 SMILES: C1=CSC(=S)S1

1.10 이성질체 SMILES: C1=CSC(=S)S1

2. 속성

2.1 밀도: 1.56

2.2 융해점: 48-50 °C(lit.)

2.3 끓는점: 122-126 ℃ (0.5 Torr)

2.4 굴절 인덱스: 1.806

2.5 번쩍이는 점: 96.2 °C

2.6 PSA: 88.57000

2.7 logP: 2.53910

2.8 가용성: 几乎不溶 (0.04 g/L) (25 oC),

3. 보안 및 처리

3.1 S 구문: 22-24/25

3.2 WGK 독일: 3

3.3 RTECS: JP1292125

3.4 안전과 위험

S 구문	22-24/25
WGK 독일	3
RTECS	JP1292125
F	8-10-13
HS 코드	29309090

4. MSDS 정보

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s)	no data available
Signal word	no data available
Hazard statement(s)	no data available
Precautionary statement(s)
Prevention	no data available
Response	no data available
Storage	no data available
Disposal	no data available

2.3 Other hazards which do not result in classification

no data available

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5. 합성 선형

930-35-8Total: 8 합성 선형

74-86-2 65 공급자

930-35-8 16 공급자

문헌:
Chemische Berichte, , vol. 97, p. 1298 - 1307
공장: null

2314-40-1 1 공급자

930-35-8 16 공급자

문헌:
Chemische Berichte, , vol. 97, p. 1298 - 1307
공장: null

123435-55-2

930-35-8 16 공급자

문헌:
Guziec, Frank S.; Russo, Joseph M.; Torres, Felix F.; Long, G. Cornell; Tellez, Mario R. Journal of the Chemical Society, Perkin Transactions 1: Organic and Bio-Organic Chemistry (1972-1999), 1989 , p. 1068 - 1070
공장: ~55%

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6. 전구체 및 제품

업스트림 제품:

2314-40-1

123435-55-2

74-86-2

104284-11-9

110-86-1

1066-54-2

463-71-8

3353-90-0

288-48-2

53059-74-8

75-15-0

다운스트림 제품 :

66946-48-3

122301-25-1

97307-49-8

584-10-1

74-93-1

34725-64-9

186139-70-8

540-63-6

132765-36-7

53059-74-8

753478-52-3

31366-25-3

7. 화학 데이터 계산

분자량: 134.24298g/mol
분자식: C₃H₂S₃
Compound Is Canonicalized: True
XLogP3-AA: 2
Exact Mass: 133.93186358
Monoisotopic Mass: 133.93186358
Complexity: 84.2
Rotatable Bond Count: 0
Hydrogen Bond Donor Count: 0
Hydrogen Bond Acceptor Count: 3
Topological Polar Surface Area: 82.7
Heavy Atom Count: 6
Defined Atom Stereocenter Count: 0
Undefined Atom Stereocenter Count: 0
Defined Bond Stereocenter Count: 0
Undefined Bond Stereocenter Count: 0
Isotope Atom Count: 0
Covalently-Bonded Unit Count: 1
CACTVS Substructure Key Fingerprint: AAADcQBAAABgAAAAAAAAAAAAAAAAAQAAAAAAAAAAAAAAAAAAAAAAGAQAAAAAAACEQACAAAAAAAiEAAACAAAAAQAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

8. 권장 공급업체

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1,3-Dithiole-2-thione , 97%