Basic information
- CAS
2686-70-6- Standard SMILES
N[C@@H](CCS(=O)O)C(=O)O- InChIKey
PDNJLMZEGXHSCU-VKHMYHEASA-N- Molecular formula
- C4H9NO4S
- Average molar mass
- 167.19 g/mol
- Monoisotopic mass
- 167.02522894
Overview
(2s)-2-Amino-4-sulfinobutanoic acid is a L-alpha-amino acid.
Names & identifiers
- Preferred name
- Butanoic acid, 2-amino-4-sulfino-, (2S)-
- IUPAC
- (2S)-2-amino-4-sulfinobutanoic acid
- English name
- L-Homocysteinesulfinic acid
- Molecular formula
- C4H9NO4S
- Molecular weight
- 167.18
Names & synonyms
(2s)-2-amino-4-sulfinobutanoic acidL-Homocysteinesulfinic acidButanoic acid, 2-amino-4-sulfino-, (2S)-DTXSID70883887RefChem:571363DTXCID301023369636-656-52686-70-6L-homocysteine sulfinic acid2-Amino-4-sulfinobutanoic Acid; L-2-Amino-4-sulfinobutyric Acid; (2S)-2-Amino-4-sulfinobutanoic Acid; L-Homocysteine Sulfinate;L-Homocysteinesulphinic AcidCHEMBL1516176
Show more names
(2s)-butanoicaciL-Homocystein sulphinate(S)-2-Amino-4-sulfinobutyric acid(S)-2-Amino-4-sulfinobutanoic acidL-HOMOCYSTEINESULFINIC ACID USP/EP/BP
SCHEMBL10135851BDBM86201CHEBI:229238PDNJLMZEGXHSCU-VKHMYHEASA-N(2s)-2-amino-4-sulfinobutanoicacidPDSP1_001272PDSP1_001276PDSP2_001256
Database identifiers
- CAS
2686-70-6
Properties
Computed structural properties
- XLogP
- -3.8
- Topological polar surface area
- 120 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 148
Physicochemical properties
- Melting point
- 165 °C · >165°C (dec.)
- Boiling point
- 486.6 · 486.6±55.0 °C(Predicted)
- Density
- 1.667 · 1.667±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- solubility
- Water (Slightly, Sonicated)
- pka
- 2.32 · 2.32±0.10(Predicted)
- form
- Solid
- color
- White to Off-White
- Stability
- Hygroscopic
- EPA Substance Registry System
- 2 · Butanoic acid, 2-amino-4-sulfino-, (2S)- (2686-70-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- tsca
- TSCA listed
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 26-36
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationButanoic acid, 2-amino-4-sulfino-, (2S)-: INACTIVE
Applications
UsesL-Homocysteinesulfinic Acid has proven to be a potent and selective metabotropic glutamate receptor agonist which may be related to diseases associated with moderate hyperhomocysteinemia. Used in biosynthesis of dipthamide
Suppliers8 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
西安乐纯化工有限责任公司029-15596886083 15596886083 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
成都标样生物科技有限公司028-81700200 13308200041 · [email protected]
江苏洪珉药业有限公司18221292452 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Dideu Industries Group Limited+86-29-81148696 +86-15129568250 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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