Basic information
- CAS
62020-54-6- Standard SMILES
NCc1cc(=O)[nH]s1- InChIKey
QVBUOPGWPXUAHT-UHFFFAOYSA-N- Molecular formula
- C4H6N2OS
- Average molar mass
- 130.17 g/mol
- Monoisotopic mass
- 130.02008399
Overview
used as GABA analog; structure
Names & identifiers
- Preferred name
- 5-(Aminomethyl)-3(2H)-isothiazolone
- IUPAC
- 5-(aminomethyl)-1,2-thiazol-3-one
- English name
- Thiomuscimol
- Molecular formula
- C4H6N2OS
- Molecular weight
- 130.17
Names & synonyms
Thiomuscimol62020-54-65-Aminomethyl-3-isothiazololDTXSID002110785-(Aminomethyl)-3(2H)-isothiazoloneRefChem:189578DTXCID001335695-(Aminomethyl)isothiazol-3(2H)-one5-(aminomethyl)-1,2-thiazol-3-one5-(aminomethyl)-2,3-dihydro-1,2-thiazol-3-oneThiomuscimol hydrobromide3(2H)-Isothiazolone,5-(aminomethyl)-
Show more names
5-(AMinoMethyl)-5-Aminomethyl-3-isothiazolo5-(Aminomethyl)-3-(2H)-isothiazolone3(2H)-Isothiazolone, 5-(aminomethyl)-
5-(Aminomethyl)- 3(2H)-isothiazoloneCHEMBL133628orb1699138SCHEMBL7778711SCHEMBL250425185-(aminomethyl)isothiazol-3-oneBDBM85196CAS_5448
Database identifiers
- CAS
62020-54-6- PubChem CID
- 5448
- DTXSID
DTXSID00211078- ChEMBL
CHEMBL133628
Properties
Computed structural properties
- XLogP
- -1.3
- Topological polar surface area
- 80.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Melting point
- 140 °C · 140°C (dec)
- storage temp.
- Refrigerator
- solubility
- PBS (pH 7.2): 10 mg/ml
- form
- A crystalline solid
- Stability
- Store Under Argon
Chemistry & industry
Applications
UsesA structural analogue of GABAA
UsesA new photoaffinity label for the GABAA receptor.
Suppliers16 total
Syntechem Co.,Ltd[email protected]
武汉易泰科技有限公司上海分公司18930552037 · [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]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
BOC Sciences16314854226 · [email protected]
上海宏叶生物科技有限公司400-9205774 400-920-5774 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
ChemeGen 中国18818260767 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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