기본 정보
- CAS
147086-81-5- 표준 SMILES
C[C@H]1C[C@H](O)c2ccsc2S1(=O)=O- InChIKey
NFUQUGUUAUVBMO-FSPLSTOPSA-N- 분자식
- C8H10O3S2
- 평균 분자량
- 218.3 g/mol
- 단동위원소 질량
- 218.00713652
이름 및 식별자
- 우선 이름
- 5,6-Dihydro-6-methyl-4H-thieno(2,3-b)thiopyran-4-ol 7,7-dioxide, (4S,6S)-
- IUPAC
- (4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-ol
- 영어명
- (4S,6S)-5,6-Dihydro-4-hydroxy-6-Methylthieno[2,3-b]thiopyran-7,7-dioxide
- 분자식
- C8H10O3S2
- 분자량
- 218.29
이름 및 동의어
147086-81-5DTXSID3057646UNII-JJ8MBD49URJJ8MBD49URDTXCID4031435EC 417-290-3(4S,6s)-5,6-dihydro-6-methyl-4h-thieno[2,3-b]thiopyran-4-ol 7,7-dioxide5,6-Dihydro-6-methyl-4H-thieno(2,3-b)thiopyran-4-ol 7,7-dioxide, (4S,6S)-(4S,6S)-5,6-dihydro-6-methyl-4H-thieno(2,3-b)thiopyran-4-ol 7,7-dioxide(4S,6S)-5,6-DIHYDRO-4-HYDROXY-6-METHYLTHIENO(2,3-B)THIOPYRAN 7,7-DIOXIDE4H-THIENO(2,3-B)THIOPYRAN-4-OL, 5,6-DIHYDRO-6-METHYL-, 7,7-DIOXIDE, (4S,6S)-4H-THIENO(2,3-B)THIOPYRAN-4-OL, 5,6-DIHYDRO-6-METHYL-, 7,7-DIOXIDE, (4S-TRANS)-
이름 더 보기
DorzolaMide inter-7DorzolaMideinterMediates(4S,6S)-5,6-Dihydro-4-hydroxy-4H-THIENO[2,3-B]THIOPYRAN-4-OLDorzolomide hydrochloride intermediate-7trans-(4S,6S)-5,6-dihydro-6-methyl-4H-thieno[2,3-b]thiopyran...(4S,6S)-5,6-dihydro-4-Hydroxy-6-Methylthiopheno[2,3-B]thiam-7,7-dioxide
4H-Thieno[2,3-b]thiopyran-4-ol, 5,6-dihydro-6-methyl-, 7,7-dioxide, (4S,6S)-RefChem:198816(4S,6S)-4-Hydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran 7,7-dioxideDorzolamide Impurity 29(4S,6S)-6-methyl-7,7-dioxo-5,6-dihydro-4H-thieno[2,3-b]thiopyran-4-olTrans-hydroxy sulfone(4S,6S)-5,6-Dihydro-4-hydroxy-6-methylthieno[2,3-b]thiopyran-7,7-dioxidePubChem2061
데이터베이스 식별자
- CAS
147086-81-5- PubChem CID
- 60924
- DTXSID
DTXSID3057646- ChEMBL
CHEMBL3189041- UNII
- JJ8MBD49UR
- EC Number
- 695-657-9
- Nikkaji
- J3.782.331G
물성
구조 계산 물성
- XLogP
- 0.9
- 극성 표면적
- 91 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 13
- 형식 전하
- 0
- 복잡도
- 293
물리화학적 성질
- 끓는 점
- 433.3 · 433.3±45.0 °C(Predicted)
- 밀도
- 1.462 · 1.462±0.06 g/cm3(Predicted)
- 저장 조건
- 2 · 2-8°C
- 산도 계수 (pKa)
- 13.06 · 13.06±0.40(Predicted)
- InChI
- InChI=1S/C8H10O3S2/c1-5-4-7(9)6-2-3-12-8(6)13(5,10)11/h2-3,5,7,9H,4H2,1H3/t5-,7-/m0/s1
- InChIKey
- NFUQUGUUAUVBMO-FSPLSTOPSA-N
- SMILES
- C12SC=CC=1[C@@H](O)C[C@H](C)S2(=O)=O
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 26 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- risk_code
- 22
- hazard_code
- Xn
- safety_code
- 36
화학 및 산업
응용 분야
용도(4S,6S)-4-Hydroxy-6-methyl-5,6-dihydro-4H-thieno[2,3-b]thiopyran-7,7-dioxide is a key intermediate used in the synthesis of topically-active carbonic anhydrase inhibitor MK-0507.
공급사49 곳
北京华美互利生物化工010-56205725 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
杭州品高化工有限公司0571-87658025 · [email protected]
青岛君之道生物技术有限公司0532-87118899 13918827946 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
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Xiamen AmoyChem Co., Ltd+86-86-5926051114 · [email protected]
上海迪外化工科技有限公司021-61551100
深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
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上海寰川实业有限公司021-61478794 · [email protected]
常州翔龙医药科技有限公司18915873328 18915873328 · [email protected]
上海孚一生物科技有限公司+86 (21) 61124340
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
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常州安奈凯医药科技有限公司+86-0519-8359-8696 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
厦门志信化学有限公司+86-5922680277 +86-13806087780 · [email protected]
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郑州艾克姆化工有限公司037163312495 13303845143 · [email protected]
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爆牛贸易重庆有限公司+86-023-6139-8061 +86-86-13650506873 · [email protected]
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上海楷迩文生化科技有限公司021-50790412 · [email protected]
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Mainchem Co., Ltd.+86-86-05926210733 · [email protected]
重庆卡兰医药有限公司[email protected]
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