(5E)-2-(4-Isobutoxyphenyl)-5-[(2-methyl-2H-chromen-3-YL)methylene][1,3]thiazolo[3,2-B][1,2,4]triazol-6(5H)-one
기본 정보
- CAS
618075-63-1- 표준 SMILES
CC(C)COc1ccc(-c2nc3s/c(=C/C4=Cc5ccccc5OC4C)c(=O)n3n2)cc1- InChIKey
QRNJNWMARROPQP-LPYMAVHISA-N- 분자식
- C25H23N3O3S
- 평균 분자량
- 445.5 g/mol
- 단동위원소 질량
- 445.14601278
이름 및 식별자
- 우선 이름
- (5E)-2-(4-Isobutoxyphenyl)-5-[(2-methyl-2H-chromen-3-YL)methylene][1,3]thiazolo[3,2-B][1,2,4]triazol-6(5H)-one
- IUPAC
- (5E)-5-[(2-methyl-2H-chromen-3-yl)methylidene]-2-[4-(2-methylpropoxy)phenyl]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
이름 및 동의어
618075-63-1(5E)-2-(4-isobutoxyphenyl)-5-[(2-methyl-2H-chromen-3-yl)methylene][1,3]thiazolo[3,2-b][1,2,4]triazol-6(5H)-one(5E)-2-(4-ISOBUTOXYPHENYL)-5-((2-METHYL-2H-CHROMEN-3-YL)METHYLENE)(1,3)THIAZOLO(3,2-B)(1,2,4)TRIAZOL-6(5H)-ONERefChem:404264645-745-82-(4-Isobutoxyphenyl)-5-((2-methyl-2H-chromen-3-yl)methylene)thiazolo[3,2-b][1,2,4]triazol-6(5H)-oneMFCD04442213STK814487AKOS002195222AKOS016071763ZINC000002533595ZINC000016731424
이름 더 보기
CC(COc1ccc(cc1)c1nn2c(n1)sc(=CC1=Cc3ccccc3OC1C)c2=O)CCC1C(=CC2=CC=CC=C2O1)C=C3C(=O)N4C(=NC(=N4)C5=CC=C(C=C5)OCC(C)C)S3(5E)5((2methyl2Hchromen3yl)methylidene)2(4(2methylpropoxy)phenyl)(13)thiazolo(32b)(124)triazol6(5H)one(5E)5((2methyl2Hchromen3yl)methylidene)2(4(2methylpropoxy)phenyl)(13)thiazolo(32b)(124)triazol6one2(4ISOBUTOXYPHENYL)5((2METHYL2HCHROMEN3YL)METHYLENE)THIAZOLO(32B)(124)TRIAZOL6(5H)ONE
데이터베이스 식별자
- CAS
618075-63-1- PubChem CID
- 16429462
- EC Number
- 645-745-8
물성
구조 계산 물성
- XLogP
- 5.9
- 극성 표면적
- 91.5 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 6
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 32
- 형식 전하
- 0
- 복잡도
- 762
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, 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%)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…