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2986-17-6,MFCD00040485
Catalog No.:AA00325D

2986-17-6 | 1,3-Diisopropylthiourea

Pack Size
Purity
Availability
Price(USD)
Quantity
  
25g
99%
in stock  
$8.00   $6.00
- +
100g
99%
in stock  
$22.00   $16.00
- +
500g
99%
in stock  
$68.00   $48.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00325D
Chemical Name:
1,3-Diisopropylthiourea
CAS Number:
2986-17-6
Molecular Formula:
C7H16N2S
Molecular Weight:
160.2803
MDL Number:
MFCD00040485
SMILES:
CC(NC(=S)NC(C)C)C
NSC Number:
8694
Properties
Properties
 
BP:
200.2°C at 760 mmHg  
Form:
Solid  
MP:
143-145 °C(lit.)  
Refractive Index:
1.6000 (estimate)  
Storage:
Keep in dry area;Room Temperature;  

Computed Properties
 
Complexity:
98.2  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.6  

Synonyms
 
  
Upstream Synthesis Route

[1]SyntheticCommunications,2015,vol.45,#2,p.236-244

[2]SyntheticCommunications,2015,vol.45,#3,p.376-385

[3]JournalofHeterocyclicChemistry,2016,vol.53,#2,p.588-594

[4]Patent:US2849420,1953,,

[1]ChemistryLetters,1982,p.641-642

[1]JournalofHeterocyclicChemistry,1979,vol.16,p.341-345

[1]ChemischeBerichte,1967,vol.100,#5,p.1602-1615

[1]JustusLiebigsAnnalenderChemie,1969,vol.722,p.52-79

[2]JournalofOrganicChemistry,1947,vol.12,p.440Anm.6

Downstream Synthesis Route
113-00-8    2986-17-6   
1,2-Di-isopropylbiguanid 

[1]Patent:DE2117015,1972,    Chem.Abstr.,1973,vol.78

629-03-8    2986-17-6   
2-6-(N,N'-Diisopropyl-carbamimidoylsulfanyl)-hexyl-1,3-diisopropyl-isothiourea 

[1]Patent:FR1538328,1968,    Chem.Abstr.,1969,vol.71

[1]ChemicalandPharmaceuticalBulletin,1975,vol.23,p.1764-1774

4638-79-3    2986-17-6   
3-isopropyl-2-isopropylamino-4-phenyl-thiazolium;chloride 

[1]JournalofMedicinalChemistry,1967,vol.10,p.649-652

2986-17-6    57508-19-7   
1,3-diisopropyl-1-thiazol-2-yl-thiourea 

[1]Synthesis,1975,p.675-676

Literature

Title: Metal complexes of diisopropylthiourea: synthesis, characterization and antibacterial studies.

Journal: International journal of molecular sciences 20110101

Title: Structure-activity studies leading to ethambutol, a new type of antituberculous compound.

Journal: Annals of the New York Academy of Sciences 19660420

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SDS
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Tags:2986-17-6 Molecular Formula|2986-17-6 MDL|2986-17-6 SMILES|2986-17-6 1,3-Diisopropylthiourea
Catalog No.: AA00325D
2986-17-6,MFCD00040485
2986-17-6 | 1,3-Diisopropylthiourea
Pack Size： 25g
Purity： 99%
in stock
$8.00 $6.00
Pack Size： 100g
Purity： 99%
in stock
$22.00 $16.00
Pack Size： 500g
Purity： 99%
in stock
$68.00 $48.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00325D
Chemical Name: 1,3-Diisopropylthiourea
CAS Number: 2986-17-6
Molecular Formula: C7H16N2S
Molecular Weight: 160.2803
MDL Number: MFCD00040485
SMILES: CC(NC(=S)NC(C)C)C
NSC Number: 8694
Properties
BP: 200.2°C at 760 mmHg  
Form: Solid  
MP: 143-145 °C(lit.)  
Refractive Index: 1.6000 (estimate)  
Storage: Keep in dry area;Room Temperature;  
Complexity: 98.2  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 1  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.6  
59:   
Upstream Synthesis Route
75-15-0    75-31-0    2986-17-6 

[1]SyntheticCommunications,2015,vol.45,#2,p.236-244

[2]SyntheticCommunications,2015,vol.45,#3,p.376-385

[3]JournalofHeterocyclicChemistry,2016,vol.53,#2,p.588-594

[4]Patent:US2849420,1953,,

534-18-9    75-31-0    2044-27-1    2986-17-6 

[1]ChemistryLetters,1982,p.641-642

693-13-0    2986-17-6 

[1]JournalofHeterocyclicChemistry,1979,vol.16,p.341-345

16486-30-9    2986-17-6 

[1]ChemischeBerichte,1967,vol.100,#5,p.1602-1615

2253-73-8    75-31-0    2986-17-6 

[1]JustusLiebigsAnnalenderChemie,1969,vol.722,p.52-79

[2]JournalofOrganicChemistry,1947,vol.12,p.440Anm.6

Downstream Synthesis Route
113-00-8    2986-17-6   
1,2-Di-isopropylbiguanid 

[1]Patent:DE2117015,1972,    Chem.Abstr.,1973,vol.78

629-03-8    2986-17-6   
2-6-(N,N'-Diisopropyl-carbamimidoylsulfanyl)-hexyl-1,3-diisopropyl-isothiourea 

[1]Patent:FR1538328,1968,    Chem.Abstr.,1969,vol.71

42908-86-1    2986-17-6    57722-81-3 

[1]ChemicalandPharmaceuticalBulletin,1975,vol.23,p.1764-1774

4638-79-3    2986-17-6   
3-isopropyl-2-isopropylamino-4-phenyl-thiazolium;chloride 

[1]JournalofMedicinalChemistry,1967,vol.10,p.649-652

2986-17-6    57508-19-7   
1,3-diisopropyl-1-thiazol-2-yl-thiourea 

[1]Synthesis,1975,p.675-676

Literature fold

Title: Metal complexes of diisopropylthiourea: synthesis, characterization and antibacterial studies.

Journal: International journal of molecular sciences20110101

Title: Structure-activity studies leading to ethambutol, a new type of antituberculous compound.

Journal: Annals of the New York Academy of Sciences19660420

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