기본 정보
- CAS
105951-30-2- 표준 SMILES
NS(=O)(=O)c1cc2c(s1)S(=O)(=O)CCC2O- InChIKey
MAZCFXDIYXGRAD-UHFFFAOYSA-N- 분자식
- C7H9NO5S3
- 평균 분자량
- 283.4 g/mol
이름 및 식별자
- 우선 이름
- 5,6-Dihydro-4-hydroxy-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
- IUPAC
- 4-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide
- 영어명
- 5,6-Dihydro-4-hydroxy-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide
- 분자식
- C7H9NO5S3
- 분자량
- 283.35
이름 및 동의어
CHEMBL314569MAZCFXDIYXGRAD-UHFFFAOYSA-N5,6-Dihydro-4-hydroxy-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide105951-30-2SCHEMBL1804003DTXSID00872123BDBM500177274-hydroxy-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide106400-04-85,6-dihydro-4-hydroxy-4H-thieno[2,3-b]thiopyran-2-sulfonamide-7,7-dioxide4-Hydroxy-5,6-dihydro-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda~6~-thieno[2,3-b]thiopyran-2-sulfonamide
이름 더 보기
4H-Thieno[2,3-b]thiopyran-2-sulfonamide, 5,6-dihydro-4-hydroxy-, 7,7-dioxide4-Hydroxy-5,6-dihydro-2-(aminosulfonyl)-4H-thieno[2,3-b]thiopyran 7,7-dioxide
(R) 4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide(R)-4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide(S) 4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide(S)-4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide4-Hydroxy-7,7-dioxo-4,5,6,7-tetrahydro-7lambda*6*-thieno[2,3-b]thiopyran-2-sulfonic acid amide
데이터베이스 식별자
- CAS
105951-30-2- ChEMBL
CHEMBL314569
물성
구조 계산 물성
- XLogP
- -0.6
- 극성 표면적
- 160 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 7
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 16
- 형식 전하
- 0
- 복잡도
- 473
물리화학적 성질
- 끓는 점
- 648.4 · 648.4±65.0 °C(Predicted)
- 밀도
- 1.79 · 1.790±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 9.39 · 9.39±0.40(Predicted)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…