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33918-09-1 molecular structure
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3-methyl-1,3-thiazolidin-2-imine

ChemBase ID: 113347
Molecular Formular: C4H8N2S
Molecular Mass: 116.18472
Monoisotopic Mass: 116.04081927
SMILES and InChIs

SMILES:
C1(=N)N(CCS1)C
Canonical SMILES:
N=C1SCCN1C
InChI:
InChI=1S/C4H8N2S/c1-6-2-3-7-4(6)5/h5H,2-3H2,1H3
InChIKey:
YMTRVMXXEIEMLP-UHFFFAOYSA-N

Cite this record

CBID:113347 http://www.chembase.cn/molecule-113347.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-methyl-1,3-thiazolidin-2-imine
IUPAC Traditional name
2-imino-3-methylthiazolidine
Synonyms
3-Methyl-thiazolidin-2-ylideneamine hydroiodide
CAS Number
33918-09-1
MDL Number
MFCD02250831
PubChem SID
162097889
PubChem CID
77318

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Life Chemicals
F0861-0066 external link Add to cart Please log in.
Data Source Data ID
PubChem 77318 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.8918245  LogD (pH = 7.4) -1.770012 
Log P 0.52183557  Molar Refractivity 43.2828 cm3
Polarizability 12.322007 Å3 Polar Surface Area 27.09 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Partition Coefficient
0.788 expand Show data source
Purity
95+% expand Show data source
Salt Data
HI expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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