기본 정보
- CAS
38942-51-7- 표준 SMILES
Cn1c(-c2ccccc2)n[nH]c1=S- InChIKey
XGLHJEZLNGXEAZ-UHFFFAOYSA-N- 분자식
- C9H9N3S
- 평균 분자량
- 191.26 g/mol
- 단동위원소 질량
- 191.05171829
이름 및 식별자
- 우선 이름
- 4-methyl-5-phenyl-4H-1,2,4-triazole-3-thiol
- IUPAC
- 4-methyl-3-phenyl-1H-1,2,4-triazole-5-thione
- 영어명
- g-32465
- 분자식
- C9H9N3S
- 분자량
- 191.25
이름 및 동의어
4-methyl-5-phenyl-4H-1,2,4-triazole-3-thiol4-Methyl-5-phenyl-4H-[1,2,4]triazole-3-thiol4-Methyl-5-phenyl-4H-(1,2,4)triazole-3-thiolRefChem:525357830-046-438942-51-7Geigy G-32465G-324654-methyl-5-phenyl-1,2,4-triazole-3-thiol4H-1,2,4-Triazole-3-thiol, 4-methyl-5-phenyl-ENT 25,558-XMFCD00662793
이름 더 보기
ent25,558-x4-triazole-3-thiol,4-methyl-5-phenyl-4h-24-Methyl-5-phenyl-4H-[1,2,4]-triazole-3-thio4-methyl-5-phenyl-2H-1,2,4-triazole-3-thione4-triazole-3-thione,2,4-dihydro-4-methyl-5-phenyl-3h-24-Methyl-5-phenyl-2,4-dihydro-[1,2,4]triazole-3-thione
2,4-Dihydro-4-methyl-5-phenyl-3H-1,2,4-triazole-3-thione4-methyl-3-phenyl-1H-1,2,4-triazole-5-thione4-methyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione3H-1,2,4-Triazole-3-thione, 2,4-dihydro-4-methyl-5-phenyl-ChemDiv3_003005MLS000768961CHEMBL25544SCHEMBL392717
데이터베이스 식별자
- CAS
38942-51-7- PubChem CID
- 719799
- DTXSID
DTXSID00192237- ChEMBL
CHEMBL25544- EC Number
- 830-046-4
- Nikkaji
- J54.416G
물성
구조 계산 물성
- XLogP
- 1.6
- 극성 표면적
- 59.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 243
실험 및 물리화학적 성질
Solubility23.6 [ug/mL] (The mean of the results at pH 7.4)
물리화학적 성질
- 녹는점
- 166 °C · 166 °C
- 끓는 점
- 270.1 · 270.1±23.0 °C(Predicted)
- 밀도
- 1.28 · 1.28±0.1 g/cm3(Predicted)
- 산도 계수 (pKa)
- 8.92 · 8.92±0.20(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- 위험 등급
- IRRITANT
화학 및 산업
공급사15 곳
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
长沙博诺新材料科技有限公司18191076804 · [email protected]
上海林栎生物科技有限公司13761635123 · [email protected]
济宁一泽医药科技有限公司15192473210 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
Aromsyn Co., Ltd.+86-0571-85585865 +86-13336024896 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
河北药成医药科技有限责任公司19903117510 19903117580 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
관련 반응
7건
화합물 노트
불러오는 중…