5,6-Dihydro-4-hydroxy-4H-thieno[2,3-b]thiopyran-2-sulfonamide 7,7-dioxide

HCID 13617012CAS 106400-04-8

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

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4건

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