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739365-93-6 molecular structure
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tert-butyl (4S)-4-carbamoyl-1,3-thiazolidine-3-carboxylate

ChemBase ID: 815680
Molecular Formular: C9H16N2O3S
Molecular Mass: 232.29994
Monoisotopic Mass: 232.08816338
SMILES and InChIs

SMILES:
S1CN([C@H](C1)C(=O)N)C(=O)OC(C)(C)C
Canonical SMILES:
O=C(N1CSC[C@@H]1C(=O)N)OC(C)(C)C
InChI:
InChI=1S/C9H16N2O3S/c1-9(2,3)14-8(13)11-5-15-4-6(11)7(10)12/h6H,4-5H2,1-3H3,(H2,10,12)/t6-/m1/s1
InChIKey:
OXGKKJVYQKKOIS-ZCFIWIBFSA-N

Cite this record

CBID:815680 http://www.chembase.cn/molecule-815680.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl (4S)-4-carbamoyl-1,3-thiazolidine-3-carboxylate
IUPAC Traditional name
tert-butyl (4S)-4-carbamoyl-1,3-thiazolidine-3-carboxylate
Synonyms
(S)-tert-butyl 4-carbamoylthiazolidine-3-carboxylate
CAS Number
739365-93-6

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O38063 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O38063 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 15.856409  H Acceptors
H Donor LogD (pH = 5.5) 0.23951289 
LogD (pH = 7.4) 0.23951289  Log P 0.23951289 
Molar Refractivity 57.6414 cm3 Polarizability 22.83367 Å3
Polar Surface Area 72.63 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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