L-Cysteine, N-acetyl-S-ethyl-

HCID 147382
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Basic information

CAS
31386-36-4
Standard SMILES
CCSC[C@H](NC(C)=O)C(=O)O
InChIKey
BSVHABSINROVJJ-LURJTMIESA-N
Molecular formula
C7H13NO3S
Average molar mass
191.25 g/mol
Monoisotopic mass
191.06161428

Names & identifiers

Preferred name
L-Cysteine, N-acetyl-S-ethyl-
IUPAC
(2R)-2-acetamido-3-ethylsulfanylpropanoic acid
English name
L-Cysteine, N-acetyl-S-ethyl-
Molecular formula
C7H13NO3S
Molecular weight
191.25

Names & synonyms

N-Acetyl-S-ethyl-L-cysteine31386-36-4L-Cysteine, N-acetyl-S-ethyl-DTXSID70185313RefChem:350633DTXCID80107804(2R)-2-acetamido-3-ethylsulfanylpropanoic acid(2R)-2-ACETAMIDO-3-(ETHYLSULFANYL)PROPANOIC ACID(R)-2-ACETAMIDO-3-(ETHYLTHIO)PROPANOIC ACIDCHEMBL1778338N-Acetyl-S-ethylcysteineS-ethyl-N-acetyl-L-cysteine
Show more names
EthylMercapturic AcidN-Acetyl-3-(ethylthio)alanineN-Acetyl-S-ethyl-L-cysteine-d5N-Acetyl-3-(ethylthio)-L-alanine
starbld0018872N-Acetyl-S-ethyl-L-cysteinSCHEMBL8988205BSVHABSINROVJJ-LURJTMIESA-NBDBM50344966AKOS006310996DB-327028EN300-7810074

Database identifiers

CAS
31386-36-4
PubChem CID
147382
DTXSID
DTXSID70185313
ChEMBL
CHEMBL1778338
Nikkaji
J931.520I

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
91.7 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
12

Physicochemical properties

Melting point
90 · 90-93°C
Boiling point
431.4 · 431.4±40.0 °C(Predicted)
Density
1.202 · 1.202±0.06 g/cm3(Predicted)
storage temp.
-20 °C · -20°C Freezer, Under Inert Atmosphere
solubility
Methanol, Water (Slightly)
form
Solid

Chemistry & industry

Suppliers7 total

艾吉析科技（上海）有限公司17717235263 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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