Basic information
- CAS
52162-05-7- Standard SMILES
NC(CCSc1ccccc1)C(=O)O- InChIKey
CXRJWCGBHXIRIE-UHFFFAOYSA-N- Molecular formula
- C10H13NO2S
- Average molar mass
- 211.28 g/mol
- Monoisotopic mass
- 211.06669983
Overview
structure; S-adenosylmethionine antagonist
Names & identifiers
- Preferred name
- S-Phenyl-DL-homocysteine
- IUPAC
- 2-amino-4-phenylsulfanylbutanoic acid
- English name
- NSC 140113
- Molecular formula
- C10H13NO2S
- Molecular weight
- 211.28
Names & synonyms
52162-05-7S-Phenyl-DL-homocysteineDL-Homocysteine, S-phenyl-NSC 140113RefChem:1807172-AMINO-4-(PHENYLSULFANYL)BUTANOIC ACID2-amino-4-phenylsulfanylbutanoic acidDL-Homocysteine,S-phenylNSC140113SCHEMBL1157769CCA16205AKOS012333770
Show more names
S-PhenylhomocysteineHomocysteine, S-phenyl-
2-amino-4-phenylsulfanyl-butanoic acidNSC-140113DS-002527CS-02396642-AMINO-4-(PHENYLSULFANYL)BUTANOICACIDEN300-217346Z1080372958
Database identifiers
- CAS
52162-05-7- PubChem CID
- 97650
- EC Number
- 190-676-4
Properties
Computed structural properties
- XLogP
- -0.3
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 181
Physicochemical properties
- Melting point
- 229 · 229-232 °C (decomp)
- Boiling point
- 386.6 · 386.6±37.0 °C(Predicted)
- Density
- 1.25 · 1.25±0.1 g/cm3(Predicted)
- pka
- 2.21 · 2.21±0.10(Predicted)
Chemistry & industry
Suppliers2 total
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
北京新研汇医药研发有限公司13969155946 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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