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54812-86-1,MFCD00010271
Catalog No.:AA003JJI

54812-86-1 | 3-Mercapto-2-butanol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5g
98%
in stock  
$11.00   $8.00
- +
25g
98%
in stock  
$27.00   $19.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003JJI
Chemical Name:
3-Mercapto-2-butanol
CAS Number:
54812-86-1
Molecular Formula:
C4H10OS
Molecular Weight:
106.1866
MDL Number:
MFCD00010271
SMILES:
CC(C(O)C)S
FEMA Number:
3502
Properties
Properties
 
BP:
59-61 °C10 mm Hg(lit.)  
Form:
Liquid  
MP:
-100°C (estimate)  
Refractive Index:
n20/D 1.48(lit.)  
Storage:
Inert atmosphere;Room Temperature;  

Computed Properties
 
Complexity:
38.5  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
2  
XLogP3:
0.7  

Downstream Synthesis Route
2523-94-6    54812-86-1   
2-Methoxy-4,5-dimethyl-1,3,2oxathiaphospholane2-sulfide 

[1]Wu,Shao-Yong;Hirashima,Akinori;Takeya,Ryuko;Eto,Morifusa[AgriculturalandBiologicalChemistry,1988,vol.52,#11,p.2911-2918]

54812-86-1    58-27-5   
2-(2-hydroxy-1-methyl-propylsulfanyl)-3-methyl-1,4naphthoquinone 

[1]Chen,Chinpiao;Liu,Yi-Zhong;Shia,Kak-Shan;Tseng,Huan-Yi[BioorganicandMedicinalChemistryLetters,2002,vol.12,#19,p.2729-2732]

54812-86-1    2216-94-6   
(Z)-3-benzylidene-5,6-dimethyl-1,4oxathian-2-one 
 
(Z)-3-benzylidene-5,6-dimethyl-1,4oxathian-2-one 

[1]Gabillet,Sandra;Lecercle,Delphine;Loreau,Olivier;Carboni,Michael;Dezard,Sophie;Gomis,Jean-Marie;Taran,Frederic[OrganicLetters,2007,vol.9,#20,p.3925-3927]

54812-86-1    54198-78-6   
4-(3-hydroxy-2-butylthiomethyl)pyrimidine 

[1]CurrentPatentAssignee:PFIZERINC-US4246263,1981,A

Literature

Title: Elucidating drug-metalloprotein interactions with tris(pyrazolyl)borate model complexes.

Journal: Inorganic chemistry 20021007

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SDS
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Tags:54812-86-1 Molecular Formula|54812-86-1 MDL|54812-86-1 SMILES|54812-86-1 3-Mercapto-2-butanol