Basic information
- CAS
175135-24-7- Standard SMILES
CCCSc1ncccc1C(=O)Cl- InChIKey
FTEUTJYYROCUBI-UHFFFAOYSA-N- Molecular formula
- C9H10ClNOS
- Average molar mass
- 215.7 g/mol
- Monoisotopic mass
- 215.0171628
Names & identifiers
- Preferred name
- 2-(Propylthio)Pyridine-3-Carbonyl Chloride
- IUPAC
- 2-propylsulfanylpyridine-3-carbonyl chloride
- English name
- 2-(Propylthio)pyridine-3-carbonyl chloride
- Molecular formula
- C9H10ClNOS
- Molecular weight
- 215.7
Names & synonyms
2-(Propylthio)Pyridine-3-Carbonyl Chloride175135-24-72-propylsulfanylpyridine-3-carbonyl chloride2-(propylsulfanyl)pyridine-3-carbonyl chloride2-(Propylthio)nicotinoyl chlorideMFCD00052656SCHEMBL14580275SCHEMBL31544569DTXSID70379078SBB095167AKOS0159119662-propylthiopyridine-3-carbonyl chloride
Show more names
BUTTPARK 97\12-17FTEUTJYYROCUBI-UHFFFAOYSA-N2-(Propylthio)-3-pyridinecarbonyl chloride2-(N-PROPYLTHIO)PYRIDINE-3-CARBONYL CHLORIDE
MS-21965DB-0114533-Pyridinecarbonyl chloride, 2-(propylthio)-
Database identifiers
- CAS
175135-24-7- PubChem CID
- 2774530
- DTXSID
DTXSID70379078
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 177
Physicochemical properties
- Melting point
- 43.4 °C · 43.4 °C
- Boiling point
- 321.3 · 321.3±27.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 0.6 · 0.60±0.29(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- Risk Statements
- 34 · 34
- Safety Statements
- 26 · 26-36/37/39-45
- RIDADR
- 3261 · 3261
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
- ridadr
- 3261
- risk_code
- 34
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36/37/39-45
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers8 total
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [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]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海阿拉丁生化科技股份有限公司6206333 13167063860 · [email protected]
重庆卡兰医药有限公司[email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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