Basic information
- CAS
1771-19-3- Standard SMILES
COc1ccc2c(c1)Sc1ccccc1N2- InChIKey
NKRGJNZQQYCJHD-UHFFFAOYSA-N- Molecular formula
- C13H11NOS
- Average molar mass
- 229.3 g/mol
- Monoisotopic mass
- 229.05613515
Names & identifiers
- Preferred name
- 3-Methoxy-10H-phenothiazine
- IUPAC
- 3-methoxy-10H-phenothiazine
- English name
- 3-methoxy-10H-phenothiazine
- Molecular formula
- C13H11NOS
- Molecular weight
- 229.3
Names & synonyms
3-Methoxy-10H-phenothiazine1771-19-3Phenothiazine, 3-methoxy-3-Methoxyphenothiazine10H-PHENOTHIAZINE, 3-METHOXY-SR-01000025134EINECS 217-196-0starbld0003423Enamine_005797Oprea1_686245MLS001005666SCHEMBL4080414
Show more names
3-Methoxy-10H-phenothiazine #CHEMBL1331821SCHEMBL40068985DTXSID80170250HMS1410H11HMS2707K17MFCD00053526AKOS034450710
Database identifiers
- CAS
1771-19-3- PubChem CID
- 74491
- DTXSID
DTXSID80170250- ChEMBL
CHEMBL1331821- EC Number
- 217-196-0
- Nikkaji
- J121.698H
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 46.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Experimental & physicochemical properties
Solubility2.7 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 163 °C · 163 °C
- Boiling point
- 410.1 · 410.1±34.0 °C(Predicted)
- Density
- 1.235 · 1.235±0.06 g/cm3(Predicted)
- pka
- -0.44 · -0.44±0.20(Predicted)
Chemistry & industry
Applications
Uses3-Methoxy-10H-phenothiazine is used in the synthesis of 10-Dechlorovancomycin (D226740), which is an impurity of Vancomycin (V096500, HCl salt) which is an amphoteric glycopeptide antibiotic produced by Streptomyces orientalis discovered in soil. Vancomycin inhibits bacterial cell wall synthesis by binding to peptidoglycan.
Suppliers5 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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