Basic information
- CAS
7292-80-0- Standard SMILES
CSc1ccc(C(N)C(=O)O)cc1- InChIKey
ZWKWPONGVMNKOM-UHFFFAOYSA-N- Molecular formula
- C9H11NO2S
- Average molar mass
- 197.26 g/mol
- Monoisotopic mass
- 197.05104977
Names & identifiers
- Preferred name
- Amino[4-(methylsulfanyl)phenyl]acetic acid
- IUPAC
- 2-amino-2-(4-methylsulfanylphenyl)acetic acid
- English name
- AMINO[4-(METHYLSULFANYL)PHENYL]ACETIC ACID
- Molecular formula
- C9H11NO2S
- Molecular weight
- 197.25
Names & synonyms
amino[4-(methylsulfanyl)phenyl]acetic acid7292-80-02-amino-2-(4-methylsulfanylphenyl)acetic Acid2-Amino-2-(4-(methylthio)phenyl)acetic acidMFCD026624052-amino-2-[4-(methylsulfanyl)phenyl]acetic acidBIO-FARMA BF000299H-DL-Phg(4-SMe)-OHCHEMBL132382SCHEMBL11686501DTXSID00404100STK133993
Show more names
Benzeneacetic acid, α-amino-4-(methylthio)-
AKOS001476091BS-24464CS-0206294AMINO[4-(METHYLTHIO)PHENYL]ACETIC ACIDH39648Benzeneacetic acid, alpha-amino-4-(methylthio)-EN300-1848499F635901
Database identifiers
- CAS
7292-80-0- PubChem CID
- 4544809
- DTXSID
DTXSID00404100- ChEMBL
CHEMBL132382
Properties
Computed structural properties
- XLogP
- -1.2
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Melting point
- 230 · 230-231 °C
- Boiling point
- 364.6 · 364.6±37.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 1.98 · 1.98±0.10(Predicted)
- HS Code
- 2930909899 · 2930909899
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
- hs_code
- 2930909899
Chemistry & industry
Suppliers15 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海相辉医药科技有限公司13761987713 · [email protected]
南京芊亿达新材料科技有限公司15384069853 · [email protected]
上海贤鼎生物科技有限公司4009209199 · [email protected]
上海裕兰生物科技有限公司021-57171705 13817537615 · [email protected]
杭州噻伏新材料科技有限公司0571-86113725 15372021306 · [email protected]
南京诺希生物科技有限公司025-85767923 18512596075 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
上海腾骞生物科技有限公司021-50895067 18616507272;13681616114;15020344067 · [email protected]
苏州西博利生物科技有限公司17326194005 · [email protected]
四川铂友生物科技有限公司（原四川佰朋）028-65791793 18140026355 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
天津和信德生物科技有限公司15022315965; 18502259037 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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