5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
기본 정보
- CAS
956576-86-6- 표준 SMILES
S=c1[nH]nc(-c2csc3c2CCCCC3)n1CC1CCCO1- InChIKey
YZJULCVAXFVLTL-UHFFFAOYSA-N- 분자식
- C16H21N3OS2
- 평균 분자량
- 335.5 g/mol
- 단동위원소 질량
- 335.11260465
이름 및 식별자
- 우선 이름
- 5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
- IUPAC
- 4-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)-1H-1,2,4-triazole-5-thione
이름 및 동의어
956576-86-65-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiol5-(5,6,7,8-Tetrahydro-4H-cyclohepta[b]thiophen-3-yl)-4-((tetrahydrofuran-2-yl)methyl)-4H-1,2,4-triazole-3-thiolMFCD099719804-(oxolan-2-ylmethyl)-3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)-1H-1,2,4-triazole-5-thione5-{4H,5H,6H,7H,8H-cyclohepta[b]thiophen-3-yl}-4-[(oxolan-2-yl)methyl]-4H-1,2,4-triazole-3-thiol5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-4H-1,2,4-triazole-3-thiolC16H21N3OS2DTXSID801104726ALBB-003535BBL037732STK502676
이름 더 보기
AKOS005171161VS-14416CS-0330011H229162,4-Dihydro-5-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thien-3-yl)-4-[(tetrahydro-2-furanyl)methyl]-3H-1,2,4-triazole-3-thione3-(5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-3-yl)-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazole-5-thione
데이터베이스 식별자
- CAS
956576-86-6- PubChem CID
- 25219048
- DTXSID
DTXSID801104726
물성
구조 계산 물성
- XLogP
- 3.5
- 극성 표면적
- 97.2 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 470
관련 반응
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