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1124-01-2 | 2-MERCAPTO-4-METHYL-5-HYDROXYETHYLTHIAZOLE
CAS No: 1124-01-2 Catalog No: AG007B3J MDL No:
Product Description
Catalog Number:
AG007B3J
Chemical Name:
2-MERCAPTO-4-METHYL-5-HYDROXYETHYLTHIAZOLE
CAS Number:
1124-01-2
Molecular Formula:
C6H9NOS2
Molecular Weight:
175.2718
IUPAC Name:
5-(2-hydroxyethyl)-4-methyl-3H-1,3-thiazole-2-thione
InChI:
InChI=1S/C6H9NOS2/c1-4-5(2-3-8)10-6(9)7-4/h8H,2-3H2,1H3,(H,7,9)
InChI Key:
CBEZEZZIXCULJW-UHFFFAOYSA-N
SMILES:
Cc1nc(sc1CCO)S
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.013g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
175.264g/mol
Monoisotopic Mass:
175.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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