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6007-55-2 molecular structure
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2-(thiomorpholin-4-yl)acetic acid

ChemBase ID: 306422
Molecular Formular: C6H11NO2S
Molecular Mass: 161.22204
Monoisotopic Mass: 161.0510496
SMILES and InChIs

SMILES:
N1(CC(=O)O)CCSCC1
Canonical SMILES:
OC(=O)CN1CCSCC1
InChI:
InChI=1S/C6H11NO2S/c8-6(9)5-7-1-3-10-4-2-7/h1-5H2,(H,8,9)
InChIKey:
ZAWRBDOBSINDEP-UHFFFAOYSA-N

Cite this record

CBID:306422 http://www.chembase.cn/molecule-306422.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(thiomorpholin-4-yl)acetic acid
IUPAC Traditional name
thiomorpholin-4-ylacetic acid
Synonyms
thiomorpholin-4-ylacetic acid
CAS Number
6007-55-2
MDL Number
MFCD03840685

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -2.6959527  LogD (pH = 7.4) -2.705215 
Log P -2.6959887  Molar Refractivity 41.4328 cm3
Polarizability 16.187456 Å3 Polar Surface Area 40.54 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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