Basic information
- CAS
74470-25-0- Standard SMILES
CSc1ccc(C(=O)O)cn1- InChIKey
LOXVLEHIADFMDD-UHFFFAOYSA-N- Molecular formula
- C7H7NO2S
- Average molar mass
- 169.2 g/mol
- Monoisotopic mass
- 169.01974946
Names & identifiers
- Preferred name
- 6-(Methylthio)nicotinic acid
- IUPAC
- 6-methylsulfanylpyridine-3-carboxylic acid
- English name
- 3-Pyridinecarboxylic acid, 6-(methylthio)-
- Molecular formula
- C7H7NO2S
- Molecular weight
- 169.2
Names & synonyms
6-(methylthio)nicotinic acid74470-25-06-methylsulfanylpyridine-3-carboxylic acid6-(methylsulfanyl)pyridine-3-carboxylic acidMFCD018602146-(methylsulfanyl)nicotinic acid6-(methylthio)nicotinicacidSCHEMBL46646AJ-333/25022080LOXVLEHIADFMDD-UHFFFAOYSA-NDTXSID301274396ZCA47025
Show more names
3-Pyridinecarboxylic acid, 6-(methylthio)-
SBB0883076-methylthiopyridine-3-carboxylic acidAKOS0102516226-(Methylthio)-3-pyridinecarboxylic acidAS-36571DB-333270CS-0195664EN300-67344
Database identifiers
- CAS
74470-25-0- PubChem CID
- 819409
- DTXSID
DTXSID301274396- EC Number
- 156-779-3
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 75.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 151
Physicochemical properties
- Melting point
- 183 °C · 183 °C
- Boiling point
- 353.7 · 353.7±27.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 3.55 · 3.55±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 303 · H303-H320
- Precautionary statements
- 312 · P312-P264-P305+P351+P338-P337+P313
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H303-H320
- Precautionary statements
- P312-P264-P305+P351+P338-P337+P313
Chemistry & industry
Suppliers12 total
常州稀亚生物科技有限公司13775267187
Zhejiang J&C Biological Technology Co.,Limited+1-2135480471 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
湖州清硫硅生物科技有限公司13626726938 · [email protected]
聊城莱博特生物医药科技有限公司0635-893290 · [email protected]
南京雅科伦医药科技有限公司025-66096098 3165145969 · [email protected]
湖州澄博生物科技有限公司13626726938
常州探索化学有限公司15295164949 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
Changzhou Exploring Chemical Co., Ltd15295164949 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
3 records
Compound notes
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