기본 정보
- CAS
303107-22-4- 표준 SMILES
CCn1c2ccccc2c2cc(/C=N/NC(=O)CSc3nnc(-c4ccc(Cl)cc4)n3-c3ccc(C)cc3)ccc21- InChIKey
GNFSZZHHEIYJCI-ALQBTCKLSA-N- 분자식
- C32H27ClN6OS
- 평균 분자량
- 579.1 g/mol
- 단동위원소 질량
- 578.1655584
이름 및 식별자
- 우선 이름
- 2-{[5-(4-Chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N'-[(E)-(9-ethyl-9H-carbazol-3-YL)methylidene]acetohydrazide
- IUPAC
- 2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]acetamide
이름 및 동의어
2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]acetohydrazide2-((5-(4-CHLOROPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N'-((E)-(9-ETHYL-9H-CARBAZOL-3-YL)METHYLIDENE)ACETOHYDRAZIDERefChem:449506303107-22-4652-670-4STL071013AKOS001615750ST50063996(E)-2-((5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N'-((9-ethyl-9H-carbazol-3-yl)methylene)acetohydrazide2-{[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}-N'-[(E)-(9-ethyl-9H-carbazol-3-yl)methylidene]acetohydrazideN-[(1E)-2-(9-ethylcarbazol-3-yl)-1-azavinyl]-2-[5-(4-chlorophenyl)-4-(4-methyl phenyl)(1,2,4-triazol-3-ylthio)]acetamide
데이터베이스 식별자
- CAS
303107-22-4- PubChem CID
- 6867950
- EC Number
- 652-670-4
물성
구조 계산 물성
- XLogP
- 7.3
- 극성 표면적
- 102 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 41
- 형식 전하
- 0
- 복잡도
- 893
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
관련 반응
0건
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