Basic information
- CAS
10490-07-0- Standard SMILES
O=C(O)C(Sc1ccccc1)c1ccccc1- InChIKey
UOCQATUFLPHRNG-UHFFFAOYSA-N- Molecular formula
- C14H12O2S
- Average molar mass
- 244.31 g/mol
- Monoisotopic mass
- 244.05580079
Names & identifiers
- Preferred name
- 2-Phenyl-2-(phenylsulfanyl)acetic acid
- IUPAC
- 2-phenyl-2-phenylsulfanylacetic acid
- English name
- alpha-(Phenylthio)phenylacetic acid
- Molecular formula
- C14H12O2S
- Molecular weight
- 244.31
Names & synonyms
2-phenyl-2-(phenylsulfanyl)acetic acidRefChem:478028681-290-110490-07-02-Phenyl-2-(phenylthio)acetic acidALPHA-(PHENYLTHIO)PHENYLACETIC ACID2-phenyl-2-phenylsulfanylacetic acid2-phenyl-2-phenylthioacetic acidMFCD00066259phenyl(phenylsulfanyl)acetic acidNSC44888(phenylthio)phenylacetic acid
Show more names
AKOS 94172LABOTEST-BB LT000529492-PHENYLTHIOPHENYLACETIC ACIDα-(Phenylthio)phenylacetic Acid^a-(Phenylthio)phenylaceticacidα-(Phenylthio)phenylacetic acidBenzeneacetic acid, a-(phenylthio)-Benzeneacetic acid, α-(phenylthio)-
phenylthio-phenyl acetic acidSCHEMBL645517alpha-phenylthio-phenylacetic acidDTXSID502863372-Phenyl-2-(phenylthio)aceticacidKAA49007STR04810NSC-44888
Database identifiers
- CAS
10490-07-0- PubChem CID
- 239605
- DTXSID
DTXSID50286337- EC Number
- 681-290-1
- Nikkaji
- J1.478.751H
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 99 · 99-101°C
- Boiling point
- 390.6 · 390.6±35.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- storage temp.
- 30 °C · Store below +30°C.
- pka
- 3.22 · 3.22±0.10(Predicted)
- form
- powder
- BRN
- 2373923 · 2373923
- InChI
- 1S/C14H12O2S/c15-14(16)13(11-7-3-1-4-8-11)17-12-9-5-2-6-10-12/h1-10,13H,(H,15,16)
- InChIKey
- UOCQATUFLPHRNG-UHFFFAOYSA-N
- UNSPSC Code
- 12352106 · 12352106
- 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
- RIDADR
- 3335 · 3335
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety data
- wgk
- WGK 3
- ridadr
- 3335
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 26-36
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P280a-P304+P340-P305+P351+P338-P405-P501a
Chemistry & industry
Applications
Usesα-(Phenylthio)phenylacetic Acid can be use as bactericide and bacteriostatic activities
Suppliers10 total
普善实业（陕西）有限公司029-81310890 18165209495 · [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]
天津泛德科技发展有限公司15620920485; 15620920485 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
上海贤鼎生物科技有限公司021-021-52271985 17721149837 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 15955137747 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
3 records
Compound notes
Loading…