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6397-33-7,MFCD08691961
Catalog No.:AA00EC8A

6397-33-7 | 2-(Isopropylthio)aniline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$24.00   $17.00
- +
5g
95%
in stock  
$74.00   $52.00
- +
10g
95%
in stock  
$121.00   $85.00
- +
25g
95%
in stock  
$212.00   $148.00
- +
100g
95%
in stock  
$634.00   $444.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00EC8A
Chemical Name:
2-(Isopropylthio)aniline
CAS Number:
6397-33-7
Molecular Formula:
C9H13NS
Molecular Weight:
167.2712
MDL Number:
MFCD08691961
SMILES:
CC(Sc1ccccc1N)C
Properties
Computed Properties
 
Complexity:
114  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.6  

Synonyms
 
  
Upstream Synthesis Route

[1]Patent:US2014/128387,2014,A1,

[1]Patent:US2014/128387,2014,A1,

[2]Patent:EP2990405,2016,A1,

[3]Patent:CN105622520,2016,A,

[4]Patent:CN105646333,2016,A,

[5]Patent:WO2017/41771,2017,A1,

[6]Patent:CN108383799,2018,A,

Downstream Synthesis Route

[1]JournaloftheChemicalSociety.PerkintransactionsI,1985,p.1885-1890

[1]JournaloftheChemicalSociety.PerkintransactionsI,1985,p.1885-1890

[1]JournaloftheChemicalSociety.PerkintransactionsI,1988,p.521-528

6397-33-7    13338-49-3   
2'-isopropylthio-2-(anilinomethyl)imidazoline 

[1]JournalofMedicinalChemistry,2002,vol.45,p.2229-2239

Literature
Quotation Request
Company Name:
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Contact Person:
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Email:
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Quantity Required:
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Additional Info:
Submit
SDS
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Tags:6397-33-7 Molecular Formula|6397-33-7 MDL|6397-33-7 SMILES|6397-33-7 2-(Isopropylthio)aniline
Catalog No.: AA00EC8A
6397-33-7,MFCD08691961
6397-33-7 | 2-(Isopropylthio)aniline
Pack Size： 1g
Purity： 95%
in stock
$24.00 $17.00
Pack Size： 5g
Purity： 95%
in stock
$74.00 $52.00
Pack Size： 10g
Purity： 95%
in stock
$121.00 $85.00
Pack Size： 25g
Purity： 95%
in stock
$212.00 $148.00
Pack Size： 100g
Purity： 95%
in stock
$634.00 $444.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00EC8A
Chemical Name: 2-(Isopropylthio)aniline
CAS Number: 6397-33-7
Molecular Formula: C9H13NS
Molecular Weight: 167.2712
MDL Number: MFCD08691961
SMILES: CC(Sc1ccccc1N)C
Properties
Complexity: 114  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 11  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.6  
38:   
Upstream Synthesis Route
6397-33-7    76697-50-2 

[1]Patent:US2014/128387,2014,A1,

6397-33-7    761440-16-8 

[1]Patent:US2014/128387,2014,A1,

[2]Patent:EP2990405,2016,A1,

[3]Patent:CN105622520,2016,A,

[4]Patent:CN105646333,2016,A,

[5]Patent:WO2017/41771,2017,A1,

[6]Patent:CN108383799,2018,A,

Downstream Synthesis Route
6397-33-7    137-07-5 

[1]JournaloftheChemicalSociety.PerkintransactionsI,1985,p.1885-1890

6397-33-7    106-95-6    102968-92-3 

[1]JournaloftheChemicalSociety.PerkintransactionsI,1985,p.1885-1890

1551-21-9    622-37-7    6397-33-7 

[1]JournaloftheChemicalSociety.PerkintransactionsI,1988,p.521-528

6397-33-7    13338-49-3   
2'-isopropylthio-2-(anilinomethyl)imidazoline 

[1]JournalofMedicinalChemistry,2002,vol.45,p.2229-2239

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