Basic information
- CAS
20503-40-6- Standard SMILES
Nc1ccc2c(c1)S(=O)(=O)C=C2- InChIKey
KRUCRVZSHWOMHC-UHFFFAOYSA-N- Molecular formula
- C8H7NO2S
- Average molar mass
- 181.21 g/mol
- Monoisotopic mass
- 181.01974946
Overview
See also: Benzo(b)thiophen-6-amine 1,1-dioxide (annotation moved to).
Names & identifiers
- Preferred name
- 6-Amino-1,1-dioxobenzo(b)thiophene
- IUPAC
- 1,1-dioxo-1-benzothiophen-6-amine
- English name
- 6-Amino-1H-1lambda6-benzo[b]thiophene-1,1-dione
- Molecular formula
- C8H7NO2S
- Molecular weight
- 181.21
Names & synonyms
6-Amino-1,1-Dioxobenzo[B]Thiophene6-amino-1,1-dioxobenzo(b)thiopheneRefChem:54003620503-40-66-Aminobenzo[b]thiophene 1,1-dioxide1,1-dioxo-1-benzothiophen-6-amine6-Amino-1h-1lambda-6-benzo[b]thiophene-1,1-dioneMFCD001738001-Benzothiophen-6-Amine 1,1-DioxideBenzo[b]thiophen-6-amine, 1,1-dioxide6-Amino-1-benzothiophene 1,1-Dioxide6-amino-1lambda6-benzothiophene-1,1-dione
Show more names
AKOS 93251(1,1-Dioxobenzothiophen-6-yl)aMine6-AMINO-1,1-DIOXOBENZO[B]THIOPHENE: TECH.6-Aminobenzo[b]thiophene 1,1-dioxide, Tech.
1,1-Dioxido-1-benzothien-6-ylamine6-Aminobenzo[b]thiophene1,1-dioxideMaybridge1_005192SCHEMBL922607SCHEMBL76100581,1-dioxobenzothiophen-6-amineHMS556D22DTXSID30381576
Database identifiers
- CAS
20503-40-6- PubChem CID
- 2779855
- DTXSID
DTXSID30381576
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Melting point
- 150 °C · 150 °C
- Boiling point
- 467.4 · 467.4±45.0 °C(Predicted)
- Density
- 1.501 · 1.501±0.06 g/cm3(Predicted)
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- form
- solid
- pka
- 1.5 · 1.50±0.20(Predicted)
- color
- Light yellow to yellow
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi,T
- Risk Statements
- 36 · 36/37/38-43-25
- Safety Statements
- 26 · 26-36/37/39-45-36/37
- Hazard Note
- Irritant
- HS Code
- 2934999090 · 2934999090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2934999090
- risk_code
- 36/37/38-43-25
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,T
- hazard_note
- Irritant
- safety_code
- 26-36/37/39-45-36/37
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Suppliers34 total
韶远科技(上海)有限公司021-50795510 4000665055 · [email protected]
Aladdin Scientific[email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
南京爱珂医药科技有限公司025-58395930 · [email protected]
Shanghai Safer Pharmaceutical Technology Co., Ltd.021-31761238 · [email protected]
上海珂华生物科技有限公司021-60455363 18019463053 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
上海马氏化学科技有限公司19916721580 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
无锡敏华生物医药科技有限公司0510-0510-66903969 13961776301 · [email protected]
HANGZHOU LEAP CHEM CO., LTD.+86-571-87711850 +86-15355479329 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
东阳市求索医药科技有限公司17502510579 · [email protected]
上海缮远医药科技有限公司021-31761238 13167072949 · [email protected]
上海麦克林生化科技股份有限公司50706066 15221275939 · [email protected]
上海尊理加生命科技有限公司021-34045219 13062664914 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]
河南奥诗曼生物科技有限公司13761588971 17719817155 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
上海蓝乐鸟实业有限公司15021845385 · [email protected]
石家庄渡世生物医药科技有限公司13102890206 18032066297
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
上海盛袖生物科技有限公司13761144602 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Related reactions
5 records
Compound notes
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