기본 정보
- CAS
338428-44-7- 표준 SMILES
CCn1c(SCC(=O)O)nnc1-c1cccc(C)c1- InChIKey
DTNRMUCNAHRQKI-UHFFFAOYSA-N- 분자식
- C13H15N3O2S
- 평균 분자량
- 277.34 g/mol
- 단동위원소 질량
- 277.0884979
이름 및 식별자
- 우선 이름
- 2-((4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acid
- IUPAC
- 2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid
- 영어명
- (4-Ethyl-5-m-tolyl-4 H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid
- 분자식
- C13H15N3O2S
- 분자량
- 277.34
이름 및 동의어
2-{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid2-((4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetic acidRefChem:449150100-401-1338428-44-7(4-Ethyl-5-m-tolyl-4H-[1,2,4]triazol-3-yl-sulfanyl)acetic acid2-((4-Ethyl-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetic acidBAS 022412402-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetic acid{[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}acetic acid2-[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-ylthio]acetic acid([4-Ethyl-5-(3-methylphenyl)-4h-1,2,4-triazol-3-yl]thio)acetic acid
이름 더 보기
[[4-ETHYL-5-(3-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]ACETIC ACIDAcetic acid, 2-[[4-ethyl-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]thio]-
DTXSID70354244SBB085371(4-ETHYL-5-M-TOLYL-4 H-[1,2,4]TRIAZOL-3-YLSULFANYL)-ACETIC ACIDAKOS000300551CS-0234992ST50262939EN300-15152G31566
데이터베이스 식별자
- CAS
338428-44-7- PubChem CID
- 767258
- DTXSID
DTXSID70354244- EC Number
- 100-401-1
물성
구조 계산 물성
- XLogP
- 2.2
- 극성 표면적
- 93.3 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 316
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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
- hazard_code
- Xi
- 위험 등급
- IRRITANT
화학 및 산업
공급사9 곳
Ryan Scientific, Inc.[email protected]
FLRO-SR[email protected]
CHEMSWORTH[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ASINEX-REAG[email protected]
MATRIX[email protected]
ENAMINE-CHI[email protected]
CHEMCOLLECT[email protected]
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