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914349-59-0 molecular structure
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3-(3-methoxyphenyl)thiomorpholine

ChemBase ID: 290157
Molecular Formular: C11H15NOS
Molecular Mass: 209.3079
Monoisotopic Mass: 209.08743511
SMILES and InChIs

SMILES:
COc1cc(C2NCCSC2)ccc1
Canonical SMILES:
COc1cccc(c1)C1CSCCN1
InChI:
InChI=1S/C11H15NOS/c1-13-10-4-2-3-9(7-10)11-8-14-6-5-12-11/h2-4,7,11-12H,5-6,8H2,1H3
InChIKey:
LETNFDFQIZLGNU-UHFFFAOYSA-N

Cite this record

CBID:290157 http://www.chembase.cn/molecule-290157.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-(3-methoxyphenyl)thiomorpholine
IUPAC Traditional name
3-(3-methoxyphenyl)thiomorpholine
Synonyms
3-(3-Methoxyphenyl)thiomorpholine
CAS Number
914349-59-0
MDL Number
MFCD06797782
PubChem SID
180675688
PubChem CID
45036859

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD228164 Please log in.
Data Source Data ID
PubChem 45036859 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0753027  LogD (pH = 7.4) 0.5631528 
Log P 1.7948492  Molar Refractivity 60.7995 cm3
Polarizability 24.074766 Å3 Polar Surface Area 21.26 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

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

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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