N-(2,6-Dimethylphenyl)-2-[(5-{[(4-methylphenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-YL)sulfanyl]acetamide
기본 정보
- CAS
539808-53-2- 표준 SMILES
Cc1ccc(SCc2nnc(SCC(=O)Nc3c(C)cccc3C)n2-c2ccccc2)cc1- InChIKey
FSQLFGCPDTTYDV-UHFFFAOYSA-N- 분자식
- C26H26N4OS2
- 평균 분자량
- 474.6 g/mol
- 단동위원소 질량
- 474.15480381
이름 및 식별자
- 우선 이름
- N-(2,6-Dimethylphenyl)-2-[(5-{[(4-methylphenyl)sulfanyl]methyl}-4-phenyl-4H-1,2,4-triazol-3-YL)sulfanyl]acetamide
- IUPAC
- N-(2,6-dimethylphenyl)-2-[[5-[(4-methylphenyl)sulfanylmethyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
- 영어명
- SALOR-INT L444022-1EA
- 분자식
- C26H26N4OS2
- 분자량
- 474.64
이름 및 동의어
539808-53-2N-(2,6-DIMETHYLPHENYL)-2-[(5-{[(4-METHYLPHENYL)SULFANYL]METHYL}-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDEN-(2,6-DIMETHYLPHENYL)-2-((5-(((4-METHYLPHENYL)SULFANYL)METHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)ACETAMIDERefChem:824187644-714-6ZINC2507663N-(2,6-Dimethylphenyl)-2-((4-phenyl-5-((p-tolylthio)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamideMFCD03460671STL186090ZINC02507663AKOS016366372ZINC000002507663
이름 더 보기
SALOR-INT L444022-1EAN-(2,6-DIMETHYLPHENYL)-2-[(5-([(4-METHYLPHENYL)SULFANYL]METHYL)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]ACETAMIDE
CC1=CC=C(C=C1)SCC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=CC=C4C)CN(26DIMETHYLPHENYL)2((4PHENYL5((PTOLYLTHIO)METHYL)4H124TRIAZOL3YL)THIO)ACETAMIDEN(26dimethylphenyl)2((5(((4methylphenyl)sulfanyl)methyl)4phenyl4H124triazol3yl)sulfanyl)acetamideN(26DIMETHYLPHENYL)2((5((4METHYLPHENYL)SULFANYLMETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETAMIDE
물성
구조 계산 물성
- XLogP
- 6
- 극성 표면적
- 110 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 8
- 무거운 원자 수
- 33
- 형식 전하
- 0
- 복잡도
- 599
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]
P261, P264, P264+P265, P271, P273, 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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
안전 데이터
- 신호 어
- Warning
- 유해·위험 문구
- 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H315
관련 반응
0건
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