Basic information
- CAS
91088-55-0- Standard SMILES
CC(=O)N[C@@H](CSc1ccc([N+](=O)[O-])cc1)C(=O)O- InChIKey
LOBKSYPZBSVLLE-JTQLQIEISA-N- Molecular formula
- C11H12N2O5S
- Average molar mass
- 284.29 g/mol
- Monoisotopic mass
- 284.04669266
Names & identifiers
- Preferred name
- L-Cysteine, N-acetyl-S-(4-nitrophenyl)-
- IUPAC
- (2R)-2-acetamido-3-(4-nitrophenyl)sulfanylpropanoic acid
- English name
- N-Acetyl-S-(4-nitrophenyl)-L-cysteine
- Molecular formula
- C11H12N2O5S
- Molecular weight
- 284.29
Names & synonyms
91088-55-0L-Cysteine, N-acetyl-S-(4-nitrophenyl)-DTXSID60238408RefChem:350632DTXCID40160899N-Acetyl-S-(4-nitrophenyl)-L-cysteineS-(4-Nitrophenyl)mercapturic Acid(2R)-2-acetamido-3-(4-nitrophenyl)sulfanylpropanoic acidMFCD00671484(2R)-2-acetamido-3-[(4-nitrophenyl)sulfanyl]propanoic acid(R)-2-Acetamido-3-((4-nitrophenyl)thio)propanoic acidSCHEMBL28910863
Show more names
S-(4-Nitrophenyl)mercapturicAciL-4-NITROPHENYLMERCAPTURIC ACIDN-Acetyl-3-[(p-nitrophenyl)thio]alanineN-Acetyl-S-(4-nitrophenyl)-L-cysteine >N-ACETYL-S-(4-NITROPHENYL)-L-CYSTEINE USP/EP/BP(R)-2-ACETAMIDO-3-(4-NITROPHENYLTHIO)PROPIONIC ACID
AKOS025295988EN26334HY-W141773AS-63226DB-255612CS-0201571A12931F634882
Database identifiers
- CAS
91088-55-0
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Melting point
- 158 °C · 158°C
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- Dichloromethane (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
- form
- Solid
- color
- Pale Brown to Yellow
Chemistry & industry
Applications
UsesN-ACETYL-S-(4-NITROPHENYL)-L-CYSTEINE is used as a marker for low levels of exposure to benzene in industry
UsesUsed as a marker for low levels of exposure to benzene in industry.
Suppliers25 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]
Aladdin Scientific[email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
广东元丰化学试剂有限公司0751-2829979 13376591640 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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