Basic information
- CAS
227958-96-5- Standard SMILES
CCOC(=O)c1c(SC)nc2ccc(Cl)cc2c1Cl- InChIKey
NRGNGBKXHHRCBD-UHFFFAOYSA-N- Molecular formula
- C13H11Cl2NO2S
- Average molar mass
- 316.2 g/mol
- Monoisotopic mass
- 314.9887552
Names & identifiers
- Preferred name
- Ethyl 4,6-dichloro-2-(methylthio)quinoline-3-carboxylate
- IUPAC
- ethyl 4,6-dichloro-2-methylsulfanylquinoline-3-carboxylate
- English name
- Ethyl 4,6-dichloro-2-(methylthio)quinoline-3-carboxylate
- Molecular formula
- C13H11Cl2NO2S
- Molecular weight
- 316.2
Names & synonyms
227958-96-5Ethyl 4,6-dichloro-2-(methylthio)quinoline-3-carboxylateethyl 4,6-dichloro-2-methylsulfanylquinoline-3-carboxylateMFCD00276616ethyl 4,6-dichloro-2-(methylsulfanyl)quinoline-3-carboxylate3-Quinolinecarboxylicacid, 4,6-dichloro-2-(methylthio)-, ethyl esterDTXSID20371340AKOS025393453PS-7064SB72396DB-045992CS-0132271
Show more names
BUTTPARK 93\04-074,6-dichloro-2-(methylthio)-3-quinolinecarboxylic acid ethyl ester3-Quinolinecarboxylic acid, 4,6-dichloro-2-(methylthio)-, ethyl ester4,6-Dichloro-3-(ethoxycarbonyl)-2-(methylthio)quinoline, Ethyl 4,6-dichloro-2-(methylsulphanyl)quinoline
ethyl 4,6-dichloro-2-methylsulfanyl-quinoline-3-carboxylate
Database identifiers
- CAS
227958-96-5
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 64.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Melting point
- 133 · 133-135
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39 -26
- Hazard Note
- Irritant
- HS Code
- 2933491090 · 2933491090
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
- 2933491090
- risk_code
- 36/37/38
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 37/39 -26
Chemistry & industry
Suppliers7 total
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Capot Chemical Co., Ltd+86 (0) 571 85 58 67 18
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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