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625-53-6 molecular structure
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ethylthiourea

ChemBase ID: 151645
Molecular Formular: C3H8N2S
Molecular Mass: 104.17402
Monoisotopic Mass: 104.04081927
SMILES and InChIs

SMILES:
CCNC(=S)N
Canonical SMILES:
CCNC(=S)N
InChI:
InChI=1S/C3H8N2S/c1-2-5-3(4)6/h2H2,1H3,(H3,4,5,6)
InChIKey:
GMEHFXXZSWDEDB-UHFFFAOYSA-N

Cite this record

CBID:151645 http://www.chembase.cn/molecule-151645.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
ethylthiourea
IUPAC Traditional name
N-ethylthiourea
Synonyms
ethylthiourea
1-Ethylthiourea
N-Ethylthiourea
乙基硫脲
N-乙基硫脲
CAS Number
625-53-6
EC Number
210-899-3
MDL Number
MFCD00004939
Beilstein Number
1699551
PubChem SID
24845780
162245795
24855217
PubChem CID
3032338

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 3032338 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.783417  H Acceptors
H Donor LogD (pH = 5.5) 0.106519744 
LogD (pH = 7.4) 0.106519744  Log P 0.106519744 
Molar Refractivity 30.7788 cm3 Polarizability 11.965617 Å3
Polar Surface Area 38.05 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
108-110 °C expand Show data source
108-110 °C(lit.) expand Show data source
108-112°C expand Show data source
111 - 113°C expand Show data source
Hydrophobicity(logP)
-0.165 expand Show data source
RTECS
YT3700000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2811 expand Show data source
UN2811 expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
III expand Show data source
Risk Statements
25 expand Show data source
Safety Statements
36/37/39-45 expand Show data source
36-45 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301 expand Show data source
GHS Precautionary statements
P280F-P301+P310-P330-P501A expand Show data source
P301 + P310 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 3 expand Show data source
Purity
≥98.0% (N) expand Show data source
95% expand Show data source
99% expand Show data source
Grade
purum expand Show data source
Linear Formula
C2H5NHCSNH2 expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 252530 external link
Packaging
10 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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