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6972-04-9 molecular structure
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N,N-dimethyl(methylsulfanyl)methanimidamide hydroiodide

ChemBase ID: 179235
Molecular Formular: C4H11IN2S
Molecular Mass: 246.11301
Monoisotopic Mass: 245.96876736
SMILES and InChIs

SMILES:
CN(C(=N)SC)C.I
Canonical SMILES:
CSC(=N)N(C)C.I
InChI:
InChI=1S/C4H10N2S.HI/c1-6(2)4(5)7-3;/h5H,1-3H3;1H
InChIKey:
PFJMWGUDKKPHFR-UHFFFAOYSA-N

Cite this record

CBID:179235 http://www.chembase.cn/molecule-179235.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-dimethyl(methylsulfanyl)methanimidamide hydroiodide
IUPAC Traditional name
N,N-dimethylmethylsulfanylmethanimidamide hydroiodide
Synonyms
N,N,S-Trimethylthiopseudourea Hydriodide
2,3,3-Trimethyl-2-thio-pseudourea Monohydriodide
N,N-Dimethyl-carbamimidothioic Acid Methyl Ester Monohydriodide
N,N'-S-Trimethylisothiouronium Iodide
CAS Number
6972-04-9
PubChem SID
164235145
PubChem CID
12762363

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC T796350 external link Add to cart
PubChem 12762363 external link
Data Source Data ID Price
TRC
T796350 external link Add to cart Please log in.
Data Source Data ID
PubChem 12762363 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.4619724  LogD (pH = 7.4) -1.4287566 
Log P 0.95304596  Molar Refractivity 45.0486 cm3
Polarizability 13.045409 Å3 Polar Surface Area 27.09 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
DMSO expand Show data source
Water expand Show data source
Apperance
White to Off-White Solid expand Show data source
Melting Point
87-88°C expand Show data source
Storage Condition
-20°C Freezer expand Show data source
MSDS Link
Download expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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