Basic information
- CAS
34914-36-8- Standard SMILES
O=C(O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
RYRPHZROJNDXEV-UHFFFAOYSA-N- Molecular formula
- C21H18O2S
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.10275082
Names & identifiers
- Preferred name
- 2-(Tritylthio)acetic acid
- IUPAC
- 2-tritylsulfanylacetic acid
- English name
- Acetic acid, [(triphenylmethyl)thio]-
- Molecular formula
- C21H18O2S
- Molecular weight
- 334.43
Names & synonyms
2-(tritylthio)acetic acid34914-36-8DTXSID90401163RefChem:254987DTXCID20352018959-419-02-tritylsulfanylacetic AcidAcetic acid, [(triphenylmethyl)thio]-S-Trityl-mercaptoacetic acid2-(triphenylmethylthio)acetic acid[(Triphenylmethyl)thio]acetic acidMFCD00386069
Show more names
TGA(Trt)-OHcyclo(RGDfK(Cya)Acetic acid, 2-[(triphenylmethyl)thio]-
s-triphenylmethyl-mercaptoacetic acid2-(triphenylmethylthio)ethanoic AcidBS-16933CS-0161576D821512-(tritylthio)aceticacid[(TRIPHENYLMETHYL)SULFANYL]ACETIC ACIDS-Trityl Mercaptoacetic Acid
Database identifiers
- CAS
34914-36-8- PubChem CID
- 4245306
- DTXSID
DTXSID90401163- EC Number
- 959-419-0
- Nikkaji
- J1.697.874D
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Melting point
- 162.5 · 162.5-163 °C
- Boiling point
- 483 · 483.0±33.0 °C(Predicted)
- Density
- 1.218 · 1.218±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 3.62 · 3.62±0.10(Predicted)
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335-H413
- Precautionary statements
- 261 · P261-P264-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Safety & regulation
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, 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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335-H413
- Precautionary statements
- P261-P264-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers50 total
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
苏州驰瑞智合生物科技有限公司0512-13626191578 13626191578 · [email protected]
江苏生康迈翔科技有限公司18217475093 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
Related reactions
5 records
Compound notes
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