Basic information
- CAS
135273-74-4- Standard SMILES
CC(=O)CSc1n(C)cc[n+]1C.[Cl-]- InChIKey
NFZZAUJDSJWLTQ-UHFFFAOYSA-M- Molecular formula
- C8H13ClN2OS
- Average molar mass
- 220.72 g/mol
- Monoisotopic mass
- 220.0437119
Overview
1,3-dimethyl-2-[(2-oxopropyl)thio]imidazolium chloride is an organic chloride salt in which the cationic component is 1,3-dimethyl-2-[(2-oxopropyl)thio]imidazolium. It has a role as an EC 2.3.2.13 (protein-glutamine gamma-glutamyltransferase) inhibitor. It contains a 1,3-dimethyl-2-[(2-oxopropyl)thio]imidazolium.
Names & identifiers
- Preferred name
- 1,3-dimethyl-2-[(2-oxopropyl)sulfanyl]-1H-imidazol-3-ium chloride
- IUPAC
- 1-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylpropan-2-one chloride
- English name
- 1,3-dimethyl-2-((2-oxopropyl)thio)imidazolium
- Molecular formula
- C8H13ClN2OS
- Molecular weight
- 0
Names & synonyms
135273-74-42MeOTI ChlorideTG-2-IN-11,3-dimethyl-2-[(2-oxopropyl)sulfanyl]-1H-imidazol-3-ium chloride1,3-dimethyl-2-[(2-oxopropyl)thio]imidazolium chloride1-(1,3-dimethylimidazol-1-ium-2-yl)sulfanylpropan-2-one;chlorideSCHEMBL1826025SCHEMBL9798357AKOS026742527MS-232291,3-Dimethyl-2-((2-oxopropyl)thio)-1H-imidazol-3-ium chlorideEN300-177572
Show more names
1,3-dimethyl-2-((2-oxopropyl)thio)imidazolium1,3-Dimethyl-2-(2-oxopropyl)sulfanyl-1H-imidazol-3-iumchloroide1,3-dimethyl-2-[(2-oxopropyl)sulfanyl]-1H-imidazole-3-iumchloroide
1,3-dimethyl-2[(2-oxopropyl)thio]imidazolium chlorideCHEMBL487575orb1689739CHEBI:72702DTXSID20928939EX-A8875KFA27374EBC-06386
Database identifiers
- CAS
135273-74-4
Properties
Computed structural properties
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Physicochemical properties
- form
- Solid
- color
- Off-white to light brown
Chemistry & industry
Applications
UsesTG-2-IN-1 (Compound D003) is a transglutaminase-2 (TGM-2) inhibitor. TG-2-IN-1 can be used for the research of myopia[1].
Suppliers11 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北魏氏化学试剂股份有限公司17771898297 13125137661 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
天津凯利奇生物科技有限公司15076683720 · [email protected]
上海立崎生物医学研究中心18014399201 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
济南思考化学有限公司0531-0000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海安毕达生物科技有限公司021-61629020 18201956406 · [email protected]
Additional notes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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