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1025936-09-7,MFCD24848905
Catalog No.:AA0007S4
1025936-09-7 | (4-Chlorothiazol-5-yl)methanol
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  • Technical Information
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  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA0007S4
Chemical Name:
(4-Chlorothiazol-5-yl)methanol
CAS Number:
1025936-09-7
Molecular Formula:
C4H4ClNOS
Molecular Weight:
149.5987
MDL Number:
MFCD24848905
IUPAC Name:
(4-chloro-1,3-thiazol-5-yl)methanol
InChI:
InChI=1S/C4H4ClNOS/c5-4-3(1-7)8-2-6-4/h2,7H,1H2
InChI Key:
WDLVJAZZCVERQM-UHFFFAOYSA-N
SMILES:
OCc1scnc1Cl
Properties
Computed Properties
 
Complexity:
82.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.97g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
149.592g/mol
Monoisotopic Mass:
148.97g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
(4-Chlorothiazol-5-yl)methanol 
1025936-09-7 
CID10511003 
1016315-12-0 
(4-chloro-1,3-thiazol-5-yl)methanol 
5-Thiazolemethanol, 4-chloro- 
SCHEMBL859786 
DTXSID00440962 
0635AA 
ZINC38972953 
AJ-97238 
C4H4ClNOS 
Literature
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