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1393686-89-9 | 4,5-Thiazoledimethanol
CAS No: 1393686-89-9 Catalog No: AG001AVG MDL No:MFCD22690302
Product Description
Catalog Number:
AG001AVG
Chemical Name:
4,5-Thiazoledimethanol
CAS Number:
1393686-89-9
Molecular Formula:
C5H7NO2S
Molecular Weight:
145.1796
MDL Number:
MFCD22690302
IUPAC Name:
[5-(hydroxymethyl)-1,3-thiazol-4-yl]methanol
InChI:
InChI=1S/C5H7NO2S/c7-1-4-5(2-8)9-3-6-4/h3,7-8H,1-2H2
InChI Key:
PNPJTRKDLZMFBQ-UHFFFAOYSA-N
SMILES:
OCc1scnc1CO
Properties
Complexity:
91
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
145.02g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
145.176g/mol
Monoisotopic Mass:
145.02g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
81.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.7
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