Basic information
- CAS
56614-75-6- Standard SMILES
CC1(C)SC(c2ccccc2)NC1C(=O)O- InChIKey
LZDQTBBSEWXLTA-UHFFFAOYSA-N- Molecular formula
- C12H15NO2S
- Average molar mass
- 237.32 g/mol
- Monoisotopic mass
- 237.08234989
Names & identifiers
- Preferred name
- 5,5-Dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
- IUPAC
- 5,5-dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acid
- English name
- S-Benzyl-L-Penicillamine
- Molecular formula
- C12H15NO2S
- Molecular weight
- 237.32
Names & synonyms
56614-75-65,5-Dimethyl-2-phenyl-1,3-thiazolidine-4-carboxylic acidDTXSID60972052RefChem:1072138DTXCID6013995395,5-Dimethyl-2-phenyl-4-thiazolidinecarboxylic acid5,5-Dimethyl-2-phenylthiazolidine-4-carboxylic acid4-Carboxy-5,5-dimethyl-2-phenylthiazolidineMFCD000303314-THIAZOLIDINECARBOXYLIC ACID, 5,5-DIMETHYL-2-PHENYL-Maybridge3_004570SCHEMBL57760
Show more names
S-Benzyl-L-Penicillamine
HMS1443P16SBB061909AKOS005210289MS-7788IDI1_015957FD168914EU-0073999SR-01000454925
Database identifiers
- CAS
56614-75-6- PubChem CID
- 41947
- DTXSID
DTXSID60972052- Nikkaji
- J529.944F
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 274
Physicochemical properties
- Melting point
- 152 · 152-153 °C
- Boiling point
- 420.4 · 420.4±45.0 °C(Predicted)
- Density
- 1.192 · 1.192±0.06 g/cm3(Predicted)
- pka
- 2.01 · 2.01±0.60(Predicted)
Chemistry & industry
Suppliers5 total
安徽合诺生物科技有限公司0555-2761852
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
安徽合诺生物科技有限公司18455579438
宝鸡缔都医药化工有限公司029-81145305 17791533577 · [email protected]
石家庄瑞田生化有限公司15831127780 · [email protected]
Related reactions
3 records
Compound notes
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