Basic information
- Standard SMILES
CCSc1ncccc1C(=O)O- InChIKey
LYHPPDODTUEXAN-UHFFFAOYSA-N- Molecular formula
- C8H9NO2S
- Average molar mass
- 183.23 g/mol
- Monoisotopic mass
- 183.03539953
Overview
2-(Ethylthio)nicotinic acid is a member of pyridines and an aromatic carboxylic acid.
Names & identifiers
- Preferred name
- 2-(Ethylthio)nicotinic acid
- IUPAC
- 2-ethylsulfanylpyridine-3-carboxylic acid
- English name
- 2-(Ethylthio)nicotinic acid
- Molecular formula
- C8H9NO2S
- Molecular weight
- 183.23
Names & synonyms
2-(Ethylthio)nicotinic acid27868-76-42-(Ethylthio)pyridine-3-carboxylic acidDTXSID30343715RefChem:254021DTXCID70294792LYHPPDODTUEXAN-UHFFFAOYSA-N2-ethylsulfanylpyridine-3-carboxylic acid2-(ethylsulfanyl)pyridine-3-carboxylic acidMFCD000516802-ethylthiopyridine-3-carboxylic acid2-(ETHYLTHIO)NICOTINICACID
Show more names
BUTTPARK 97\12-182-(Ethylmercapto)nicotinicacid2-(Ethylthio)nicotinic acid,97%2-(Ethylthio)pyridine-3-carboxylicacid2-(Ethylthio)-3-pyridinecarboxylic acid3-Pyridinecarboxylic acid, 2-(ethylthio)-2-(Ethylmercapto)nicotinic acid~2-(Ethylthio)pyridine-3-carboxylic acid
Maybridge1_001449Oprea1_7116502-(ethylthio) nicotinic acid2-ethylsulfanyl-nicotinic acidorb3031394SCHEMBL4773044HMS545J19CHEBI:194776
Database identifiers
- CAS
27868-76-4- PubChem CID
- 591734
- DTXSID
DTXSID30343715- ChEBI
CHEBI:194776- EC Number
- 681-736-5
- Nikkaji
- J267.238C
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 163
Physicochemical properties
- Melting point
- 185 °C · 185 °C
- BRN
- 388961 · 388961
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- HS Code
- 29339900 · 29339900
Safety & regulation
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Safety data
- hs_code
- 29339900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers19 total
上海炎泽化工有限公司15345144255 19975051755 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
阿法埃莎（中国）化学有限公司400-6106006 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
广东谦进化学试剂有限公司0751-2818792 13435114148 · [email protected]
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
九鼎化学（上海）科技有限公司4009209199 · [email protected]
广东翁江化学试剂有限公司0751-2886750 13927877953 · [email protected]
郑州如科生物科技有限公司15981811963 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
SUZHOU SENFEIDA CHEMICAL CO.,LTD+86-0512-83500002 +86-15195660023 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
重庆卡兰医药有限公司[email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
北京海特乐思克科技有限公司15210893940; 15116916250 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Additional notes
DefinitionChEBI: 2-(Ethylthio)nicotinic acid is an aromatic carboxylic acid and a member of pyridines.
Related reactions
4 records
Linked notes
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