Home > Compound List > Compound details
1072-93-1 molecular structure
click picture or here to close

(5R)-5-ethenyl-1,3-oxazolidine-2-thione

ChemBase ID: 306096
Molecular Formular: C5H7NOS
Molecular Mass: 129.18018
Monoisotopic Mass: 129.02483485
SMILES and InChIs

SMILES:
C1(=S)O[C@@H](CN1)C=C
Canonical SMILES:
C=C[C@@H]1CNC(=S)O1
InChI:
InChI=1S/C5H7NOS/c1-2-4-3-6-5(8)7-4/h2,4H,1,3H2,(H,6,8)/t4-/m1/s1
InChIKey:
UZQVYLOFLQICCT-SCSAIBSYSA-N

Cite this record

CBID:306096 http://www.chembase.cn/molecule-306096.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(5R)-5-ethenyl-1,3-oxazolidine-2-thione
IUPAC Traditional name
goitrin
Synonyms
Epigoitrin
CAS Number
1072-93-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
BioBioPha BBP02818
Data Source Data ID Price
BioBioPha
BBP02818 Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 8.641236  H Acceptors
H Donor LogD (pH = 5.5) 1.3217626 
LogD (pH = 7.4) 1.3006418  Log P 1.3220404 
Molar Refractivity 35.841 cm3 Polarizability 14.248516 Å3
Polar Surface Area 21.26 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Bioassay(PubChem)
Apperance
Powder expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle