Basic information
- CAS
311343-11-0- Standard SMILES
CC(=O)N[C@@H](CS)C(=O)NCCSC(C)=O- InChIKey
PCFWUYJHCYCQKP-QMMMGPOBSA-N- Molecular formula
- C9H16N2O3S2
- Average molar mass
- 264.4 g/mol
- Monoisotopic mass
- 264.06023472
Names & identifiers
- Preferred name
- Ethanethioic acid, S-(2-(((2R)-2-(acetylamino)-3-mercapto-1-oxopropyl)amino)ethyl)ester
- IUPAC
- S-[2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]ethyl] ethanethioate
- English name
- Ethanethioic acid, S-[2-[[(2R)-2-(acetylamino)-3-mercapto-1-oxopropyl]amino]ethyl] ester
- Molecular formula
- C9H16N2O3S2
- Molecular weight
- 264.36
Names & synonyms
I-152311343-11-0I 152Ethanethioic acid, S-(2-(((2R)-2-(acetylamino)-3-mercapto-1-oxopropyl)amino)ethyl)esterDTXSID20185065Ethanethioic acid, S-[2-[[(2R)-2-(acetylamino)-3-mercapto-1-oxopropyl]amino]ethyl]esterRefChem:340224DTXCID30107556(R)-S-(2-(2-ACETAMIDO-3-MERCAPTOPROPANAMIDO)ETHYL) ETHANETHIOATEs-{2-[(n-acetyl-l-cysteinyl)amino]ethyl} ethanethioateCHEMBL18837orb1982296
Show more names
Ethanethioic acid, S-[2-[[(2R)-2-(acetylamino)-3-mercapto-1-oxopropyl]amino]ethyl] ester
orb3032934SCHEMBL1487648PCFWUYJHCYCQKP-QMMMGPOBSA-NS-[2-[[(2R)-2-acetamido-3-sulfanylpropanoyl]amino]ethyl] ethanethioateDA-64345I152HY-153340CS-0693884
Database identifiers
- CAS
311343-11-0- PubChem CID
- 484333
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Boiling point
- 540.9 · 540.9±50.0 °C(Predicted)
- Density
- 1.232 · 1.232±0.06 g/cm3(Predicted)
- pka
- 9.21 · 9.21±0.10(Predicted)
- form
- Solid
- color
- White to off-white
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 501 · P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330
Chemistry & industry
Applications
UsesI-152 is a conjugate containing N-acetyl-cysteine (NAC) and cysteamine (MEA). I-152 activates NRF2 and ATF4 signals. I-152 has anti-proliferative properties[1].
Suppliers5 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
10 records
Compound notes
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