Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 11989생성일: 2026년 10월 27일
벤조티아졸티올,2-메틸-
벤조티아졸티올,2-메틸- · Usaf ek-4008 · 2-methyl-benzothiazolethio · 2-methyl-Benzothiazolethiol · Benzothiazolethiol,2-methyl- · mercapto-2-methyl-benzothiazol · mercapto-2-methyl-Benzothiazole · Benzothiazole,mercapto-2-methyl-
https://huagongshe.com/ko/chemical/11989
식별자 및 물리적 특성
| CAS No. | 31621-01-9 |
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| 분자식 | C8H7NS2 |
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| 평균 분자량 | 181.3 g/mol |
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| 단동위원소 질량 | 181.00199157 g/mol |
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| SMILES | CSc1nc2ccccc2s1 |
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| InChIKey | UTBVIMLZIRIFFR-UHFFFAOYSA-N |
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| PubChem CID | 11989 |
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| ChEMBL | CHEMBL1303065 |
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| ChEBI | CHEBI:1217 |
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| EC No. | 210-417-1 |
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| DTXSID | DTXSID70274236 |
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| 현지명 | 벤조티아졸티올,2-메틸- |
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화학 및 물리적 성질
| XLogP | 3.1 |
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| 극성 표면적 | 66.4 |
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| 수소 결합 공여자 수 | 0 |
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| 수소 결합 수용자 수 | 3 |
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| 회전 가능 결합 수 | 1 |
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| 무거운 원자 수 | 11 |
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| 형식 전하 | 0 |
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| 복잡도 | 140 |
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| 증기압 | 0.00026 [mmHg] |
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| Physical Description | Yellow liquid with an unpleasant odor[Acros Organics MSDS] |
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| Kovats Retention Index | 1589272.73273.741607.12422 |
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| Collision Cross Section | 132.0 Ų [M+H]+ [CCS Type: DTBuffer gas: N2Ionization: ESI+Dataset: TOXCASTSource Identifier: DTXSID70274236]131.32 Ų [M+H]+ |
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안전 및 규제
| GHS 분류 | This chemical does not meet GHS hazard criteria for 6.7% (3 of 45) of reports.WarningH315 (93.3%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (93.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (91.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 3 of 45 reports by companies.There are 5 notifications provided by 42 of 45 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| 유해성 요약 | Reacts with water producing toxic fumesMay cause irritation[Acros Organics MSDS] See Mercaptobenzothiazole. |
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| Hazard Classes and Categories | Skin Irrit. 2 (93.3%)Eye Irrit. 2 (93.3%)STOT SE 3 (91.1%) |
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