기본 정보
- 표준 SMILES
NS(=O)(=O)c1cc2c(s1)S(=O)(=O)CCC2O- InChIKey
MAZCFXDIYXGRAD-UHFFFAOYSA-N- 분자식
- C7H9NO5S3
- 평균 분자량
- 283.4 g/mol
- 단동위원소 질량
- 282.96428539
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
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
(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
106400-04-8- PubChem CID
- 13617012
- DTXSID
DTXSID00872123- 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
관련 반응
4건
연결된 노트
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