기본 정보
- CAS
522597-63-3- 표준 SMILES
C=CCn1c(-c2csc(C)c2CC)n[nH]c1=S- InChIKey
MPJVRRILZIGBDP-UHFFFAOYSA-N- 분자식
- C12H15N3S2
- 평균 분자량
- 265.4 g/mol
- 단동위원소 질량
- 265.07073984
이름 및 식별자
- 우선 이름
- 4-allyl-5-(4-ethyl-5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 3-(4-ethyl-5-methylthiophen-3-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
- 영어명
- 4-ALLYL-5-(4-ETHYL-5-METHYLTHIEN-3-YL)-4H-1,2,4-TRIAZOLE-3-THIOL
- 분자식
- C12H15N3S2
- 분자량
- 265.4
이름 및 동의어
522597-63-34-allyl-5-(4-ethyl-5-methylthien-3-yl)-4H-1,2,4-triazole-3-thiol4-Allyl-5-(4-ethyl-5-methylthiophen-3-yl)-4H-1,2,4-triazole-3-thiolMFCD034234375-(4-ethyl-5-methylthiophen-3-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol3-(4-ethyl-5-methylthiophen-3-yl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thioneALBB-003188BBL017558STK450024AKOS003289770VS-06278CS-0322990
이름 더 보기
IVK/1026504ZINC003744414-allyl-5-(4-ethyl-5-methyl-3-thienyl)-2H-1,2,4-triazole-3-thione5-(4-ethyl-5-methylthiophen-3-yl)-4-prop-2-enyl-2H-1,2,4-triazole-3-thione5-(4-ethyl-5-methyl-thiophen-3-yl)-4-prop-2-enyl-2H-1,2,4-triazole-3-thione3H-1,2,4-Triazole-3-thione, 5-(4-ethyl-5-methyl-3-thienyl)-2,4-dihydro-4-(2-propen-1-yl)-
ST50832567H22615AK-968/419233774-allyl-3-(4-ethyl-5-methyl-3-thienyl)-1H-1,2,4-triazole-5-thione4-allyl-5-(4-ethyl-5-methyl-3-thienyl)-4H-1,2,4-triazole-3-thiol5-(4-ethyl-5-methyl(3-thienyl))-4-prop-2-enyl-1,2,4-triazole-3-thiol
데이터베이스 식별자
- CAS
522597-63-3- PubChem CID
- 843524
물성
구조 계산 물성
- XLogP
- 3.2
- 극성 표면적
- 88 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 17
- 형식 전하
- 0
- 복잡도
- 354
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