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73401-53-3 molecular structure
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(3S)-thiomorpholine-3-carboxylic acid

ChemBase ID: 811982
Molecular Formular: C5H9NO2S
Molecular Mass: 147.19546
Monoisotopic Mass: 147.03539953
SMILES and InChIs

SMILES:
[C@@H]1(CSCCN1)C(=O)O
Canonical SMILES:
OC(=O)[C@H]1CSCCN1
InChI:
InChI=1S/C5H9NO2S/c7-5(8)4-3-9-2-1-6-4/h4,6H,1-3H2,(H,7,8)/t4-/m1/s1
InChIKey:
JOKIQGQOKXGHDV-SCSAIBSYSA-N

Cite this record

CBID:811982 http://www.chembase.cn/molecule-811982.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S)-thiomorpholine-3-carboxylic acid
IUPAC Traditional name
(3S)-thiomorpholine-3-carboxylic acid
Synonyms
(S)-THIOMORPHOLINE-3-CARBOXYLIC ACID
CAS Number
73401-53-3

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O31653 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O31653 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 1.8167944  H Acceptors
H Donor LogD (pH = 5.5) -2.6125507 
LogD (pH = 7.4) -2.6164408  Log P -2.6126096 
Molar Refractivity 35.8834 cm3 Polarizability 14.359863 Å3
Polar Surface Area 49.33 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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