Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 655생성일: 2026년 10월 25일
O,O-diethyl phosphorothioate
O,O-diethyl O-hydrogen phosphorothioate · DEPTh · DETP(ester) · Chlorpyrifos Impurity 4 · Chlorpyrifos Impurity 2 · Thiophosphoric acid diethyl · O,O-DIETHYLPHOSPHOROTHIOATE · O,O-diethyl phosphorothionate
https://huagongshe.com/ko/chemical/655
식별자 및 물리적 특성
| CAS No. | 2465-65-8 |
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| 분자식 | C4H11O3PS |
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| 평균 분자량 | 170.17 g/mol |
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| 단동위원소 질량 | 170.01665184 g/mol |
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| SMILES | CCOP(O)(=S)OCC |
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| InChIKey | PKUWKAXTAVNIJR-UHFFFAOYSA-N |
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| PubChem CID | 655 |
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| ChEMBL | CHEMBL1232328 |
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| ChEBI | CHEBI:28006 |
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| DTXSID | DTXSID9052844 |
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화학 및 물리적 성질
| XLogP | 1.4 |
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| 극성 표면적 | 70.8 |
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| 수소 결합 공여자 수 | 1 |
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| 수소 결합 수용자 수 | 4 |
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| 회전 가능 결합 수 | 4 |
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| 무거운 원자 수 | 9 |
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| 형식 전하 | 0 |
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| 복잡도 | 106 |
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| Physical Description | Solid |
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| 녹는점 | 180-186 °C(lit.) |
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| 끓는 점 | 105-106 °C(Press: 2 Torr) |
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| 밀도 | 1.1806 g/cm3 |
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| pKa(산도 계수) | -0.10±0.34(Predicted) |
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안전 및 규제
| 독성 요약 | Diethylthiophosphate (DETP) induces DNA damage only in the hepatic cell lines, and this effect could be related to a secondary non-diffusible metabolite generated by the activity of P450 enzymes since P450 enzyme inhibitors also inhibited the induction of DNA damage in hepatic cells. This organophosphorous (OP) metabolite has shown some toxicity in human peripheral blood mononucleated cells (PBMC). DETP is a cytotoxic compound in human PBMC. A relationship between urinary levels of DETP and the number of sperm susceptible to chromatin alteration has been reported among rural agricultural workers. In addition, a correlation between the frequency of aneuploidy in sperm and the levels of DETP in urine was identified in a rural population exposed to OP pesticides, indicating that the potential for genotoxicity following OP exposure may depend on the type and quantity of specific metabolites produced, such as DETP. (A15411) |
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| Carcinogen Classification | No indication of carcinogenicity to humans (not listed by IARC). |
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| 수질 위해 등급(WGK) | 3 |
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| 위험 문구(R) | 36/37/38 |
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| 위험 표시 | Xi |
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| 안전 문구(S) | 26-36 |
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