기본 정보
- CAS
438236-52-3- 표준 SMILES
CCc1c(-c2nnc(S)n2Cc2ccccc2)csc1C- InChIKey
UTHTVLYHARKYPZ-UHFFFAOYSA-N- 분자식
- C16H17N3S2
- 평균 분자량
- 315.5 g/mol
- 단동위원소 질량
- 315.0863899
개요
3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione is a member of benzenes.
이름 및 식별자
- 우선 이름
- 3-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione
- IUPAC
- 4-benzyl-3-(4-ethyl-5-methylthiophen-3-yl)-1H-1,2,4-triazole-5-thione
- 영어명
- 4-benzyl-5-(4-ethyl-5-methyl-3-thienyl)-4H-1,2,4-triazole-3-thiol
- 분자식
- C16H17N3S2
- 분자량
- 315.45628
이름 및 동의어
4-benzyl-3-(4-ethyl-5-methylthiophen-3-yl)-1H-1,2,4-triazole-5-thioneMLS0006986283-(4-ethyl-5-methyl-3-thiophenyl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thioneSMR0002281794-benzyl-5-(4-ethyl-5-methyl-3-thienyl)-4H-1,2,4-triazole-3-thiolcid_843677CHEMBL1374818CHEBI:105035BDBM114516HMS2555N24STK450115AKOS003289312
이름 더 보기
ST50832395AK-968/41923905Q271827125-(4-ethyl-5-methyl(3-thienyl))-4-benzyl-1,2,4-triazole-3-thiol4-benzyl-3-(4-ethyl-5-methyl-3-thienyl)-1H-1,2,4-triazole-5-thione4-benzyl-5-(4-ethyl-5-methylthiophen-3-yl)-4H-1,2,4-triazole-3-thiol3-(4-ethyl-5-methyl-thiophen-3-yl)-4-(phenylmethyl)-1H-1,2,4-triazole-5-thione438236-52-3
데이터베이스 식별자
- CAS
438236-52-3- PubChem CID
- 843677
- ChEMBL
CHEMBL1374818- ChEBI
CHEBI:105035
물성
구조 계산 물성
- XLogP
- 4
- 극성 표면적
- 88 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 4
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 418
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