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5554-48-3,MFCD00154815
Catalog No.:AA00DD31

5554-48-3 | 1,3-Thiazinane-2-thione

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>95%
1 week  
$299.00   $209.00
- +
5mg
>95%
1 week  
$319.00   $223.00
- +
10mg
>95%
1 week  
$358.00   $250.00
- +
500mg
>95%
1 week  
$453.00   $317.00
- +
1g
>95%
1 week  
$589.00   $412.00
- +
5g
>95%
1 week  
$1,337.00   $936.00
- +
10g
>95%
1 week  
$2,084.00   $1,459.00
- +
25g
>95%
1 week  
$4,328.00   $3,030.00
- +
50g
>95%
1 week  
$7,693.00   $5,385.00
- +
100g
>95%
1 week  
$14,238.00   $9,966.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DD31
Chemical Name:
1,3-Thiazinane-2-thione
CAS Number:
5554-48-3
Molecular Formula:
C4H7NS2
Molecular Weight:
133.2351
MDL Number:
MFCD00154815
SMILES:
S=C1NCCCS1
Properties
Computed Properties
 
Complexity:
81.8  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.2  

Downstream Synthesis Route
5554-48-3   
brominewater 
  3687-18-1 

[1]ChemischeBerichte,1890,vol.23,p.89

[1]EuropeanJournalofInorganicChemistry,2006,p.1041-1049

[2]ACSMedicinalChemistryLetters,2011,vol.2,p.154-159

[3]Patent:WO2012/78859,2012,A2.Locationinpatent:Page/Pagecolumn52-53

[1]JournalofMedicinalChemistry,2016,vol.59,p.1613-1633

[2]Patent:WO2016/179398,2016,A1.Locationinpatent:Paragraph0100;0103

5554-48-3    15026-17-2   
N-(4-tert-butoxy-4-oxobutanoyl)-1,3-thiazinane-2-thione 

[1]OrganicLetters,2019,vol.21,p.305-309

Literature

Title: 3-[1-(4-Chloro-phen-yl)eth-yl]-1,3-thia-zinane-2-thione.

Journal: Acta crystallographica. Section E, Structure reports online 20110201

Title: 3-(1-Phenyl-ethyl)-1,3-thia-zinane-2-thione.

Journal: Acta crystallographica. Section E, Structure reports online 20091201

Title: 3-[1-(3,4-Dichloro-phen-yl)eth-yl]-1,3-thia-zinane-2-thione.

Journal: Acta crystallographica. Section E, Structure reports online 20091201

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SDS
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Tags:5554-48-3 Molecular Formula|5554-48-3 MDL|5554-48-3 SMILES|5554-48-3 1,3-Thiazinane-2-thione
Catalog No.: AA00DD31
5554-48-3,MFCD00154815
5554-48-3 | 1,3-Thiazinane-2-thione
Pack Size： 1mg
Purity： >95%
1 week
$299.00 $209.00
Pack Size： 5mg
Purity： >95%
1 week
$319.00 $223.00
Pack Size： 10mg
Purity： >95%
1 week
$358.00 $250.00
Pack Size： 500mg
Purity： >95%
1 week
$453.00 $317.00
Pack Size： 1g
Purity： >95%
1 week
$589.00 $412.00
Pack Size： 5g
Purity： >95%
1 week
$1,337.00 $936.00
Pack Size： 10g
Purity： >95%
1 week
$2,084.00 $1,459.00
Pack Size： 25g
Purity： >95%
1 week
$4,328.00 $3,030.00
Pack Size： 50g
Purity： >95%
1 week
$7,693.00 $5,385.00
Pack Size： 100g
Purity： >95%
1 week
$14,238.00 $9,966.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DD31
Chemical Name: 1,3-Thiazinane-2-thione
CAS Number: 5554-48-3
Molecular Formula: C4H7NS2
Molecular Weight: 133.2351
MDL Number: MFCD00154815
SMILES: S=C1NCCCS1
Properties
Complexity: 81.8  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 7  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.2  
Downstream Synthesis Route
5554-48-3   
brominewater 
  3687-18-1 

[1]ChemischeBerichte,1890,vol.23,p.89

5554-48-3    7211-54-3 

[1]EuropeanJournalofInorganicChemistry,2006,p.1041-1049

[2]ACSMedicinalChemistryLetters,2011,vol.2,p.154-159

[3]Patent:WO2012/78859,2012,A2.Locationinpatent:Page/Pagecolumn52-53

5554-48-3    125829-10-9    7211-54-3 

[1]JournalofMedicinalChemistry,2016,vol.59,p.1613-1633

[2]Patent:WO2016/179398,2016,A1.Locationinpatent:Paragraph0100;0103

5554-48-3    15026-17-2   
N-(4-tert-butoxy-4-oxobutanoyl)-1,3-thiazinane-2-thione 

[1]OrganicLetters,2019,vol.21,p.305-309

Literature fold

Title: 3-[1-(4-Chloro-phen-yl)eth-yl]-1,3-thia-zinane-2-thione.

Journal: Acta crystallographica. Section E, Structure reports online20110201

Title: 3-(1-Phenyl-ethyl)-1,3-thia-zinane-2-thione.

Journal: Acta crystallographica. Section E, Structure reports online20091201

Title: 3-[1-(3,4-Dichloro-phen-yl)eth-yl]-1,3-thia-zinane-2-thione.

Journal: Acta crystallographica. Section E, Structure reports online20091201

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1250624-45-3
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1417794-53-6
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