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37174-63-3 molecular structure
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N,N-diethyl(methylsulfanyl)formamide

ChemBase ID: 173554
Molecular Formular: C6H13NOS
Molecular Mass: 147.23852
Monoisotopic Mass: 147.07178504
SMILES and InChIs

SMILES:
CCN(C(=O)SC)CC
Canonical SMILES:
CCN(C(=O)SC)CC
InChI:
InChI=1S/C6H13NOS/c1-4-7(5-2)6(8)9-3/h4-5H2,1-3H3
InChIKey:
AQTFQQHFHGBCPG-UHFFFAOYSA-N

Cite this record

CBID:173554 http://www.chembase.cn/molecule-173554.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-diethyl(methylsulfanyl)formamide
IUPAC Traditional name
N,N-diethylmethylsulfanylformamide
Synonyms
S-Methyl N,N-Diethylthiocarbamate
Diethyl-carbamothioic Acid S-Methyl Ester
Diethylthio-carbamic Acid S-Methyl Ester
CAS Number
37174-63-3
PubChem SID
164229464
PubChem CID
119467

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
TRC M301730 external link Add to cart
PubChem 119467 external link
Data Source Data ID Price
TRC
M301730 external link Add to cart Please log in.
Data Source Data ID
PubChem 119467 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.5046004  LogD (pH = 7.4) 1.5046004 
Log P 1.5046004  Molar Refractivity 41.6758 cm3
Polarizability 16.095106 Å3 Polar Surface Area 20.31 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Solubility
Dichloromethane expand Show data source
Ethyl Acetate expand Show data source
Methanol expand Show data source
Apperance
Yellow Oil expand Show data source
Boiling Point
112°C/14 mm expand Show data source
Storage Condition
Refrigerator 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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