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142-46-1 molecular structure
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(carbamothioylamino)thiourea

ChemBase ID: 121740
Molecular Formular: C2H6N4S2
Molecular Mass: 150.22584
Monoisotopic Mass: 150.00338821
SMILES and InChIs

SMILES:
C(=S)(NNC(=S)N)N
Canonical SMILES:
NC(=S)NNC(=S)N
InChI:
InChI=1S/C2H6N4S2/c3-1(7)5-6-2(4)8/h(H3,3,5,7)(H3,4,6,8)
InChIKey:
KCOYHFNCTWXETP-UHFFFAOYSA-N

Cite this record

CBID:121740 http://www.chembase.cn/molecule-121740.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(carbamothioylamino)thiourea
IUPAC Traditional name
1,2-hydrazinecarbothioamide
Synonyms
hydrazine-1,2-bis(carbothioamide)
2,5-Dithiobiurea
2,5-二硫脲
2,5-二硫代联二脲
CAS Number
142-46-1
EC Number
205-537-6
MDL Number
MFCD00014471
Beilstein Number
1723178
PubChem SID
162216093
24860250
PubChem CID
2724564

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 2724564 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.51372  H Acceptors
H Donor LogD (pH = 5.5) -0.5070896 
LogD (pH = 7.4) -0.5070894  Log P -0.5070896 
Molar Refractivity 40.667 cm3 Polarizability 15.836422 Å3
Polar Surface Area 76.1 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
212 °C (dec.)(lit.) expand Show data source
ca 212°C dec. expand Show data source
RTECS
EC1460000 expand Show data source
European Hazard Symbols
X expand Show data source
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22 expand Show data source
36/37/38 expand Show data source
Safety Statements
26-37/39 expand Show data source
36 expand Show data source
TSCA Listed
expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS07 expand Show data source
GHS Signal Word
Warning expand Show data source
GHS Hazard statements
H301 expand Show data source
H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P305 + P351 + P338 expand Show data source
P264-P270-P301+P310-P321-P405-P501A expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves expand Show data source
Purity
97% expand Show data source
Linear Formula
H2NCSNHNHCSNH2 expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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