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화학 백과사전   /  Pharmaceutical Intermediates
사이클로펜틸-티오우레아 structure

사이클로펜틸-티오우레아
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1. 이름 및 식별자
1.1 제품명
사이클로펜틸-티오우레아
1.2 동의어
N-시클로펜틸티오우레아;시클로펜틸-티오우레아
1.3 CAS No.
102936-57-2
1.4 CID
736945
1.5 분자식
C6H12N2S
1.6 Inchi
InChI=1S/C6H12N2S/c7-6(9)8-5-3-1-2-4-5/h5H,1-4H2,(H3,7,8,9)
1.7 InchiKey
VEJCUYXHMQFYGE-UHFFFAOYSA-N
1.8 교회법에 의거 한 SMILES
C1CCC(C1)NC(=S)N
1.9 이성질체 SMILES
C1CCC(C1)NC(=S)N
2. 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

모두 보기
3. NMR 스펙트럼
13C NMR : Predict  
1H NMR : Predict  
4. 합성 선형
102936-57-2Total: 3 합성 선형
 
1003-03-8
1003-03-8 50 공급자
 
102936-57-2
102936-57-2 4 공급자
 
70498-31-6
70498-31-6
 
102936-57-2
102936-57-2 4 공급자
5. 전구체 및 제품
업스트림 제품:
33522-03-1
33522-03-1
70498-31-6
70498-31-6
1003-03-8
1003-03-8
다운스트림 제품:
860344-65-6
860344-65-6
6. 화학 데이터 계산
  • Molecular Weight：144.24g/mol
  • Molecular Formula：C6H12N2S
  • Compound Is Canonicalized：True
  • Exact Mass：0.8
  • XLogP3-AA：144.07211956
  • Monoisotopic Mass：144.07211956
  • Complexity：108
  • Rotatable Bond Count：1
  • Hydrogen Bond Donor Count：2
  • Hydrogen Bond Acceptor Count：1
  • Topological Polar Surface Area：70.1
  • Heavy Atom Count：：9
  • 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：AAADccBjAABAAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAHAQQAAAACCjBAAQBAALAAAAEAAAAAAAAAAAAAAkAAIAIAACAAAIAgAAEAAAAEAIAAAAQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
7. Toltal 4 공급자 자세히 보기
N-Cyclopentylthiourea
Angene International Limited
Hong kong
Tel: Update Time:2015/08/27
inquire
CYCLOPENTYL-THIOUREA
Manchester Organics
United Kingdom
Tel: Update Time:2019/11/25
inquire
CYCLOPENTYL-THIOUREA
UkrOrgSynthesis Ltd.
Ukraine
Tel: Update Time:2019/11/25
inquire
CYCLOPENTYL-THIOUREA
InFarmatik Bt.
Hungary
Tel: Update Time:2019/11/25
inquire
8. 실제 제품 정보
 
1. 이름 및 식별자
2. MSDS 정보
3. NMR 스펙트럼
4. 합성 선형
5. 전구체 및 제품
6. 화학 데이터 계산
7. Toltal 4 공급자
8. 실제 제품 정보
 
 
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