Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
Thenyl mercaptan
2-THENYLTHIOL · Thiophen-2-ylmethanethiol · 2-Thenyl · THENYL MERCAPTAN · 2-THENYLMERCAPTAN · 2-Thienylmethanethiol · 2-Thenylmercaptan ,98% · 2-Thiophenemethenethiol
식별자 및 물리적 특성
| CAS No. | 6258-63-5 |
|---|---|
| 분자식 | C5H6S2 |
| 평균 분자량 | 130.2 g/mol |
| 단동위원소 질량 | 129.99109219 g/mol |
| SMILES | SCc1cccs1 |
| InChIKey | GCZQHDFWKVMZOE-UHFFFAOYSA-N |
| PubChem CID | 80408 |
| ChEMBL | CHEMBL152603 |
| EC No. | 228-394-1 |
| DTXSID | DTXSID40211618 |
화학 및 물리적 성질
| XLogP | 1.8 |
|---|---|
| 극성 표면적 | 29.2 |
| 수소 결합 공여자 수 | 1 |
| 수소 결합 수용자 수 | 2 |
| 회전 가능 결합 수 | 1 |
| 무거운 원자 수 | 7 |
| 형식 전하 | 0 |
| 복잡도 | 54 |
| 향미제 | EU Flavoring substances |
| 용해도 | slightly |
| 끓는 점 | 166.00 °C. @ 760.00 mm Hg90 °C (15 mmHg) |
| 밀도 | 1.6 |
| 굴절률 | 1.602-1.604 |
| 인화점 | 81 °C |
| 저장 조건 | 2-8°C, stored under nitrogen |
| 물리적 상태 | 액체 |
| pKa(산도 계수) | 9.48±0.10(Predicted) |
| 색상 | 무색투명~미황색 |
| 냄새 | 프로필렌 글리콜 중 0.10%. 구운 커피 비린내 |
| 향취 유형 | 커피 |
| 용해도 | 약간 용해됨 |
| InChI | InChI=1S/C5H6S2/c6-4-5-2-1-3-7-5/h1-3,6H,4H2 |
| InChIKey | GCZQHDFWKVMZOE-UHFFFAOYSA-N |
| SMILES | C1(CS)SC=CC=1 |
| LogP(분배 계수) | 2.42 |
| NIST | 2-Thiophenemethanethiol(6258-63-5) |
화학적 성질
CLEAR COLOURLESS TO SLIGHTLY YELLOW LIQUID
안전 및 규제
| GHS 분류 | WarningH302 (> 99.9%): 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 1377 reports by companies from 2 notifications to the ECHA C&L Inventory. |
|---|---|
| 규제 정보 | Chemical: 2-ThiophenemethanethiolCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)2-Thiophenemethanethiol: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (> 99.9%) |
| 수질 위해 등급(WGK) | WGK 3 |
| 관세 코드 | 29349990 |
| 위험 문구(R) | 36-43-22 |
| 위험 표시 | Xi |
| 안전 문구(S) | 24/25-36/37-26 |
| 위험 등급 | Eye Irrit. 2Skin Sens. 1 |
| 저장 분류 | 11 - Combustible Solids |
용도
용도
2-Thiophenemethanethiol is a terpene shown to inhibit matrix metalloproteinase (MMP) activity in the presence of hydrogen peroxide. The structure of 2-Thiophenemethanethiol was determined by x-ray crystallography and had a strong intramolecular hydrogen bond. It also contains a carbonyl group and a disulphide bridge, which are essential for its anti-inflammatory properties. 2-Thiophenemethanethiol is a precursor for the synthesis of anti-inflammatory drugs that are used to treat arthritis and other inflammatory conditions.