Basic information
- CAS
20600-60-6- Standard SMILES
CCCSCC(=O)O- InChIKey
ZLAIUYZHCQJJCE-UHFFFAOYSA-N- Molecular formula
- C5H10O2S
- Average molar mass
- 134.2 g/mol
- Monoisotopic mass
- 134.04015073
Names & identifiers
- Preferred name
- 2-(Propylsulfanyl)acetic acid
- IUPAC
- 2-propylsulfanylacetic acid
- English name
- (Propylthio)acetic acid
- Molecular formula
- C5H10O2S
- Molecular weight
- 134.2
Names & synonyms
2-(propylsulfanyl)acetic acidRefChem:462060962-150-1(Propylthio)acetic acid20600-60-62-(propylthio)acetic acid2-propylsulfanylacetic acidMFCD08445086Acetic acid, 2-(propylthio)-Carboxymethyl propyl sulfideS-Carboxymethylpropyl mercaptan(Propylsulfanyl)acetic acid
Show more names
Albb-004309(propylthio)acetic acid(SALTDATA: FREE)
Acetic acid, (propylthio)-Propylthioglycolic acid(propylthio)-acetic acidacetic acid, propylthio-(Propylsulfanyl)acetic acid #SCHEMBL889480SCHEMBL9479111DTXSID30275608
Database identifiers
- CAS
20600-60-6- PubChem CID
- 55672
- DTXSID
DTXSID30275608- EC Number
- 962-150-1
- Nikkaji
- J101.163D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 72.8
Physicochemical properties
- Boiling point
- 244 · 244-245 °C(Press: 685 Torr)
- Density
- 1.121 · 1.121±0.06 g/cm3(Predicted)
- pka
- 3.85 · 3.85±0.10(Predicted)
- Symbol(GHS)
- 5 · GHS05,GHS07
- Signal word
- Danger
- Hazard statements
- 302 · H302-H318
- Precautionary statements
- 264 · P264-P270-P280-P301+P312+P330-P305+P351+P338+P310-P501
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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
- Danger
- Symbol(GHS)
- GHS05,GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H318
- Precautionary statements
- P264-P270-P280-P301+P312+P330-P305+P351+P338+P310-P501
Chemistry & industry
Suppliers4 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
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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